DeepCure develops an AI engine for small-molecule drug discovery across various therapeutic indications. The company’s approach to drug discovery relies on three key elements: medicinal chemistry, predictive analytics, and an automated robotic laboratory for scaling and optimization. As of July 2023, The company's proprietary molecular database, “MolDB”—reportedly the world’s largest medicinal chemistry database—covers over one trillion compounds and is expanded on-demand to one quintillion molecules.
Unlike traditional methods, DeepCure’s models are capable at predicting properties of molecules that deviate from the known data. It utilizes an exclusive molecular representation that was developed in-house. Utilizing AI and automation enables DeepCure to reduce cost and cycle times. The chemistry process involves the use of robotic synthesizers, purification systems triggered by mass spectrometry, and liquid-handling systems. Furthermore, automated screening and in-vitro testing contribute to the generation of up to 100,000 data points monthly.
DeepCure has developed more than 30 lead compounds for multiple therapeutic targets in three years. As of September 2023, the company had the following programs in its pipeline: BRD4 for systemic indications (oral), cutaneous indications (topical), and ophthalmic indications, as well as five undisclosed programs.
Key customers and partnerships
In January 2023, DeepCure collaborated with Bioseroto to develop an advanced, fully automated chemistry synthesis platform for drug discovery.
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