Drug Repurposing

Use AI to identify new uses for existing drugs, speeding development and reducing costs

Business impact

• Time to market — AI shortens drug discovery and repurposing cycles, enabling quicker patient access
• R&D cost reduction — Leveraging existing drug data reduces need for costly early-stage testing
• Clinical trial success rate — Improved candidate selection increases likelihood of successful clinical outcomes
• R&D efficiency — AI automates data analysis and hypothesis generation, enhancing research productivity
• Drug approval rate — Repurposed drugs with known safety profiles face fewer regulatory hurdles

Data requirements

• Biomedical literature and clinical trial data (Text) — Used to extract drug-target interactions and clinical outcomes for repurposing
• Genomic, proteomic, and multi-omic datasets (Numeric) — Provide molecular signatures to identify drug mechanisms and targets
• Protein structure databases (Image) — Enable AI to predict drug binding and design novel molecules
• Electronic medical records and real-world evidence (Structured) — Validate AI predictions against actual off-label drug use and outcomes
• Knowledge graphs of drugs, diseases, and proteins (Structured) — Support relational reasoning and explainable AI for drug repurposing

AI methods and techniques

• Generative AI — Designs novel molecules and hypotheses for drug repurposing candidates
• Predictive AI — Predicts drug-target interactions and clinical efficacy from complex datasets
• Agentic AI — Autonomously integrates data, simulates experiments, and refines drug hypotheses
• Symbolic AI — Uses knowledge graphs and ontologies for explainable reasoning and validation

AI models and model families

GPT-4o, Claude, Llama, Gemini 2.0, AlphaFold2, NovareAI, GeNNius

Industries

Real-world evidence

15 documented case studies on record.

Companies using this: Absci, Bio Xcel Therapeutics, Cheng Lab, Cleveland Clinic, Deep Life, Every Cure, Exscientia, Generate Biomedicines, Healx, IQVIA, Insilico Medicine, MIT Institute Medical Engineering Science, Mattson Thieme, Recursion Pharmaceuticals, University Navarra.