Insilico Medicine Open-Sources 120M Molecules for NLRP3 Drug Discovery
Insilico Medicine has made a significant move in AI-driven drug discovery by open-sourcing a subset of 120 million molecules designed to target NLRP3. This action aims to make regions of chemical space harder to patent, potentially transforming the pharmaceutical landscape.
The company's AI-driven workflow, LEGION, is designed to cover the universe of potential drug molecules and expand the reach of generative chemistry tools. Insilico's preprint 'Molecular LEGION' seeks to address two key challenges in drug discovery: efficiently searching vast chemical spaces and preventing 'me too' or 'me better' drugs by competitors.
LEGION has proven effective in strengthening intellectual property positions and reducing the risk of 'fast follower' drugs. When applied to the NLRP3 target, LEGION generated over 123 billion new molecular structures and uncovered tens of thousands of promising scaffold structures in mere hours. Specifically, it identified over 34,000 unique scaffolds with potential to bind NLRP3, which were then modified and combined to create the vast array of molecular structures.
The NLRP3 market is projected to grow significantly, from $1.12 billion in 2024 to $5.43 billion in 2033, with a CAGR of 18.3%. Insilico envisions its oral NLRP3 inhibitor, ISM8969, as a potentially best-in-class, brain-penetrant, and safe treatment for various diseases, including Parkinson's, arthritis, and heart disease. Insilico plans to submit an IND application for ISM8969 later this quarter to commence clinical studies.
Insilico's open-sourcing of NLRP3-targeting molecules and the successful application of LEGION to this target demonstrate the company's commitment to advancing AI-driven drug discovery. By making these molecules openly available, Insilico aims to foster innovation while protecting its intellectual property. The potential of NLRP3 as a lucrative target for new drugs, akin to GLP-1 receptor agonists, further underscores the significance of Insilico's recent developments.
