AI Drug Discovery
Success has begun...
Current State of AI-Discovered Drugs
The number of completely "new drugs discovered by AI" is still relatively small, but the field is rapidly expanding. Here's what we know:
Drugs in Clinical Trials
The most notable milestone is from Insilico Medicine, which has achieved the first "true AI drug" to reach Phase II clinical trials. Their drug candidate INS018_055 for idiopathic pulmonary fibrosis represents the first instance where both the target and the drug design were discovered entirely using AI Quicker Cures: How Insilico Medicine Uses Generative AI to Accelerate Drug Discovery +2. This achievement took under 30 months from target discovery to Phase I trials, representing unprecedented speed in drug development From Start to Phase 1 in 30 Months | Insilico Medicine.
According to Demis Hassabis, CEO of Google DeepMind, AI-designed drugs from their spin-out company Isomorphic Labs are expected to enter clinical trials by the end of 2025 SociPymnts.
Success Rates and Pipeline Growth
Recent analysis shows that in Phase I trials, AI-discovered molecules are substantially more successful than historic industry averages, suggesting that AI algorithms are highly capable of generating molecules with drug-like properties How successful are AI-discovered drugs in clinical trials? A first analysis and emerging lessons - ScienceDirect.
The total number of AI-assisted drug candidates in various stages of development has grown significantly:
The FDA has received over 500 submissions with AI components from 2016 to 2023 Artificial Intelligence for Drug Development | FDA
Multiple companies beyond Insilico Medicine are advancing AI-discovered drugs through clinical trials
Key Developments and Infrastructure
AlphaFold's Impact: Google DeepMind's AlphaFold has revolutionized protein structure prediction, with AlphaFold 3 now able to predict interactions between proteins and other molecules, which is critical for drug discovery ReutersGoogle DeepMind. AlphaFold has predicted over 200 million protein structures – nearly all catalogued proteins known to science AlphaFold - Google DeepMind.
Regulatory Support: The FDA published draft guidance in 2025 on using AI for drug development and announced an aggressive timeline to scale AI use across all FDA centers by June 2025, following successful AI-assisted scientific review pilots FdaFda.
Specific Examples
The most advanced AI-discovered drugs include:
INS018_055 (Insilico Medicine) - Currently in Phase II trials for idiopathic pulmonary fibrosis
A COVID-19 drug from Insilico Medicine in Phase I trials AI-generated drug begins clinical trials in human patients
A cancer drug (USP1 inhibitor) that recently received FDA approval to initiate clinical trials AI-generated drug begins clinical trials in human patients