SyntheticGestalt develops innovative AI solutions for design, discovery and analysis of small & large molecules. Based on large-scale foundation AI models trained on tens of billions of data, the company accelerates the process of lead compound creation in drug discovery and the discovery and application of novel enzymes for a sustainable society.
AI technology has made remarkable progress in recent years, mostly through large-scale foundation AI models. For example, text generation AI learns from trillions of tokens of data to achieve natural interaction with humans. Similarly, image generation AI learns from hundreds of millions of data, giving it the ability to generate images at will. However, there is no definitive foundation model for molecular data.
Most current AI models using molecular data rely on one- or two-dimensional (1D or 2D) data. However, to accurately predict small molecule-protein interactions, it is essential to consider 3D structures. Furthermore, to account for potential conformational changes in molecules, 4D structures need to be incorporated.
We are therefore developing a large set of foundation AI models based on billions of data sets that take into account the potential 3D conformational changes of molecules. These models utilise Geometric Deep Learning techniques and have the ability to understand complex structures. With this, we aim to complete the world's largest set of AI models in the molecular domain.
AI only trained on hundreds of thousands of data.
Our foundation AI is trained on 10 billion data points. It acts as a solid foundation to accelerate discovery processes.
Drug discovery research currently faces enormous time and cost challenges. On average, it takes 4.5 years and costs USD 18.2 million to develop a new drug that proceeds to biological testing, with the lead optimisation process in particular being a major bottleneck. Lead optimisation requires selecting and optimising promising compounds from a myriad of candidate compounds, consuming two years and an enormous resource of USD 12 million using traditional methods.
AI drug discovery has been touted as a new approach to solving this challenge. However, traditional AI models tend to output only compounds that are similar to those of human experts, and can only maintain actionable accuracy within the scope of directly trained data. Therefore, technical challenges still remain in the discovery of new drug candidates by AI.
To address these challenges, we offer innovative AI solutions that accelerate the process of lead generation and lead optimisation. By combining foundation AI models with predictive models of lead activity and drug-likeness and novel compound generation models, we select the optimal ones from the vast compound space with unprecedented speed and efficiency.
Our AI has been used to efficiently search Enamine's large libraries of tens of billions of compounds, suggesting candidate compounds for experiments with unprecedented speed and efficiency.

Developing a drug discovery AI that encompasses the foundation AI
Drug discovery AI selects candidate compounds from tens of billions
Developing a drug discovery AI that encompasses the foundation AI
Drug discovery AI selects candidate compounds from tens of billions

Shionogi & Co., Ltd. and Hokkaido University
We have collaborated with Shionogi and Hokkaido University with the aim of using our AI drug discovery technology to identify new anti-coronavirus drug candidate compounds.

D. Western Therapeutics Institute, Inc. (DWTI)
Collaboration with DWTI with the aim of co-discovering novel, multi-targeted kinase inhibitors for the treatment of inflammation and central nervous system (CNS) diseases.



Today, the manufacturing industry is required to reduce its impact on the global environment and adopt sustainable processes. Many conventional manufacturing processes consume a lot of energy and emit large amounts of carbon dioxide, toxic substances, etc., which have a significant impact on the environment. In addition, problems such as resource depletion and increased waste are becoming more serious. New technologies and approaches are required to solve these problems.
Biomanufacturing is seen as a promising means of solving these challenges. However, there are various technical and economic barriers to introducing biotechnology into manufacturing. The development of bio-based materials and processes requires sophisticated technology and significant investment. In addition, scalability and cost-effectiveness remain challenges.
SyntheticGestalt's enzyme discovery approach finds the desired enzyme function from large amounts of genetic sequence information. Using AI technology, which has discovered a range of new enzymes such as plastic degrading enzymes and carbon dioxide fixing enzymes, we are developing technologies that can contribute to manufacturing and a decarbonised society.

Development of an enzyme AI that encapsulates the foundation AI.
Enzyme discovery AI selects candidate substances from a list of amino acid sequences.
Development of an enzyme AI that encapsulates the foundation AI.
Enzyme discovery AI selects candidate substances from a list of amino acid sequences.

Kyowa Hakko Bio Co., Ltd.
Using our enzyme screening system, we have discovered new enzymes that can be applied to the production of pharmaceuticals with activity levels that were previously considered difficult to discover. The activity levels of the enzymes have been verified in wet experiments.

Yokogawa Electric Corporation
In order to establish a technology for evaluating cells, the company is working with Yokogawa Electric to research and develop a cell line identifier that incorporates time information. As a result, we have succeeded in realising solutions that were difficult to achieve using conventional methods.



SyntheticGestalt combines cutting-edge AI technology with expertise in the life sciences to help in-house R&D companies solve problems and create new value.

Elevate your predictive capabilities by integrating SyntheticGestalt's powerful foundation AI with your existing data and search infrastructure—creating remarkably accurate models tailored to your needs.
SyntheticGestalt creates custom AI solutions powered by your company's unique data, delivering rapid results with specialized expertise in life sciences. Our tailored approach transforms your proprietary information into powerful competitive advantages. Partner with us to pioneer next-generation AI models that will define the future of life sciences innovation.



Transform your discovery pipeline with SyntheticGestalt's pioneering AI technology—dramatically accelerating the identification of novel substances.
Our proprietary AI technology works alongside your team to uncover valuable new compounds across multiple domains, from breakthrough pharmaceuticals to innovative materials. Let us enhance your R&D capabilities and drive your next scientific breakthrough.
We have a diverse culture where highly qualified professionals from completely different fields make the most of their creativity.






Automating the drug discovery pipeline has the potential to reshape modern medicine. By building a robust research pipeline where we question everything, developing tools which are long lasting and encouraging collaboration between different teams as well as groups outside the company, we are positioned uniquely to meet this challenge.
Dr. John Welliaveetil, Research Engineer
Between our math seminars and office BBQs, the business and engineering teams work together to direct our technological development according to our business needs. We are always exploring how the latest technological advances can further our development.
Dr. Ross Johnstone, Research Engineer


Future drug discovery will be driven by automated approach. We are an AI engineer-majority company, and that is what inspires me, as a scientist. The equal interaction between science and engineering is our strength, driving us to discover new drugs.
Dr. Yoshiari Shimmyo, Head of Life Science
SyntheticGestalt has to be one of the most exciting places to work — as a diverse team of engineers and scientists, we draw on modern mathematics, physics, chemistry, life sciences and AI to automate drug discovery. The research is intrinsically interesting and provides direct benefits to society, potentially providing medical relief to millions. And with an eye toward automating innovation in general, things are only going to get more exciting!
Dr. Nathan Lugg, Research Engineer




Amidst a metropolis lined with high-rise buildings, a single house stands in harmony with nature; our office. Being close to nature reminds us of our origins: working to save the beauty of nature and to save as many people as possible from illnesses.
Daitaro Misawa, Research Engineer


In a flat working environment without barriers, all of the members openly communicate their opinions and ideas, regardless of their position, age or nationality. We respect each other’s values and backgrounds, and this cooperative engagement is what helps us foster new technologies together.
Satsuki Smit, Senior Manager of Finance




In a bustling organization where change is the norm, it's sometimes easy to forget one's purpose. I hope to make the office a place where both the individual and the group flourish, and originality blossoms.
Rimiko Hagiwara, Office Manager
The organic office environment where boundaries beween outdoors, indoors, and the self melts, as well as the flexible and collaborative working style from which the team derives its strength, seems to me to mimic the characteristics of life itself.
Dr. Yu Atsumi, Research Engineer
You can find a variety of things here. People from mathematicians to biologists, discussions in English / Japanese or both!? The co-existing diversity gives us space for giving crazy ideas a shot and trying new things.
Yoshihiro Hori, Research Engineer

On the path to the goal, every new meeting is a new beginning. The first step in an encounter is a directed perturbation, or in other words the construction & resolution of a designed query. Let’s create a bright future together, continuously asking how to formulate the question.
Kotaro Kamiya, CTO
At SyntheticGestalt, each of us behaves as an individual, but the company as a whole is trying to create a system that automates the act of invention. SyntheticGestalt is a company that synthesises a gestalt, a result of self-organisation, with our own will and hands.
Koki Shimada, CEO
Civilizational advancement is brought about by the expansion of the capabilities of society. We aim to be the greatest contributor to this process, by making autonomous systems expand societal capabilities at an unprecedented speed and scale.
The system we develop must be able to mass-produce valuable discoveries. The society we belong to defines the valuableness of the discoveries.
The system we develop must find new things that do not yet exist in society. It must not merely improve the efficiency of existing processes, but involve new discoveries in order to contribute to the goal of expanding the capabilities of society.
The system we develop will not create a one-time invention, but allow mass-production of inventions. If the act of invention is a one-off process, then the value resides in what is produced. If, however, the act is mass-producible, then the system will be valuable in itself. Abstracting the discovery process and describing it in a repeatable way will carve the way to such a system.
The system we develop must have future potential. This is only secured when its discovery process is inexhaustible, and its operation is uninterruptible. To achieve this, the system must be able to determine and execute its own actions. It is through the autonomy of the system that the permanence of the system's value production process can be foreseen, and thus its present value can be considered with its future potential added.
The system we develop will advance civilization. Valuable discoveries expand the capabilities of society as a whole, and the use of such capabilities by society advances civilization. This increases the viability of the society, and we can expect to receive value from society in return.
The system we develop will play a leading role in the advancement of civilization. When we mass-produce discoveries, our contribution will be greater than any other organization's. We would then produce the most value for society, and thereby become its most valued member.
Recognize that actions without a purpose are worthless, even if they seem intuitively valuable. We need to produce value reproducibly, but results obtained without a purpose are not reproducible.
A purpose will become a guide for making your own decisions, and liberates you from outside interference so long as they do not hinder your achieving it. If you are a person with a will, recognize the purpose to be achieved and act accordingly.
When you strive to achieve a goal, that goal is yours, even if it was invented by others or shared with others. Multiple entities working for the same goal make good allies.
Your value comes from the results you produce, not from the process of trying to produce them or your innate abilities. If you need the cooperation of others to achieve your goals, then you are responsible for making every effort necessary to obtain that cooperation.
Taking the initiative to achieve your goals will certainly help you grow, and the direction of your growth will always be directed toward achieving your goals.
We can think logically; we are not limited to our intuition and experience. It allows us to devise methods that we have overlooked, emotionally avoided, or never experienced, and it allows us to perceive and act on the world beyond our initial capability.
Logical analysis reveals in advance the steps that should not be taken and allows us to be aware of the constraints that are imposed. There is an order to this world, and we cannot do what we want to do if we ignore that order.
It is possible, and important, to rely on experience and intuition to devise the means necessary to achieve our goals. However, the analysis of the means needs to be logical. Logical analysis allows us to share, discuss, and verify our findings with others, as well as to ruminate on them objectively ourselves.
A logically conceived approach does not necessarily fit within the framework of your experience, intuition, or common sense, so its implementation can be unsettling. However, logic is on your side. When you are logically correct, but intuitively uncertain, there is an opportunity that those without courage could not take. Therefore, you need to execute boldly. Identifying the purpose and the path can be done mechanically. But only those who have the will to proceed on the unexplored path will succeed.
Time is the only constraint to achieve our goals. As such, it must be treated as the most precious resource. Economic and human resources can be procured if time is available, but time is not exchangeable for any other resource. Therefore, any action that wastes time should be avoided as much as possible, and any action that saves time should be encouraged. Also, since time is a constraint, it is difficult to find the optimal solution for most problems. Keep in mind that you need to set your priorities appropriately and make compromises where necessary.