Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7161035 | 0.81 | HRH3 (0.38) | — | |
| SCHEMBL7159249 | 0.79 | CYP2A6 (0.33) | — | |
| SCHEMBL7158056 | 0.69 | CDK8 (0.38) | — | |
| SCHEMBL6204235 | 0.67 | HTR6 (0.33) | — | |
| SCHEMBL7159235 | 0.63 | BRD4 (0.40) | — | |
| SCHEMBL6198446 | 0.63 | GRM2 (0.38) | — | |
| SCHEMBL25249571 | 0.60 | CYP2A6 (0.50) | KIF11DRD1 | |
| SCHEMBL4096252 | 0.60 | CYP2A6 (0.50) | KIF11DRD1 | |
| SCHEMBL411725 | 0.59 | KIF11 (0.52) | KIF11DRD1 | |
| SCHEMBL2014718 | 0.58 | PRF1 (0.61) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1208104-B1 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMA (US) | 2005-01-19 | — | — | EP | disclosed |
| US-6548494-B1 | 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases | AGOURON PHARMACEUTICALS, INC. | 2003-04-15 | — | — | US | disclosed |