Life sciences and drug discovery
Screen thousands of compounds and targets in code before the lab.
Antinuous scores large compound libraries against a target in parallel and builds target cases from papers, ChEMBL and trial registries. Predicted scores are labeled, and each fact links to its source.
Use cases
Compare existing drugs for a target
What works and how it binds is spread across labels, structures and papers.
You ask
Compare the approved EGFR inhibitors for lung cancer: approval year, how they bind, and the resistance mutations each one covers.
What it does
- Finds approved drugs for the target in ChEMBL and PubChem.
- Pulls bound structures from PDB and shows them in the molecule viewer.
- Reads the key papers on resistance and fills one cited row per drug.
You get
A sheet with linked structures and a chart of approvals over time.
Drug
Generation
Binding
First US approval
Gefitinib
First
Reversible
2003
Erlotinib
First
Reversible
2004
Afatinib
Second
Irreversible
2013
Osimertinib
Third
Irreversible
2015
Approved EGFR inhibitors for lung cancer, by generation.
Who it's for
Medicinal chemistsScreen compounds against ChEMBL and PubChem data before you buy.
Target biologistsCollect cited evidence for a drug target in one sheet.
Protein engineersView RCSB PDB and AlphaFold structures beside your evidence.
Competitive intelligence analystsTrack competitor programs and trial results on a schedule.
Works with
PubMed
UniProt
RCSB PDB
AlphaFold DB
ChEMBL
ClinicalTrials.gov