Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 7/20 | 0.39 |
| ▸ | TTK | P33981 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 5/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7165695 | 0.88 | PARP1 (0.43) | PARP1AURKBINCENPTAAR1 | |
| SCHEMBL7163108 | 0.84 | PARP1 (0.39) | PARP1TNKS | |
| SCHEMBL7161035 | 0.81 | HRH3 (0.38) | BRD4BRD9HRH3PARP1TTK | |
| SCHEMBL6204235 | 0.80 | HTR6 (0.33) | PARP1AURKB | |
| SCHEMBL6198446 | 0.80 | GRM2 (0.38) | PARP1GRM2 | |
| SCHEMBL7159249 | 0.80 | CYP2A6 (0.33) | — | |
| SCHEMBL6200649 | 0.72 | HTR2C (0.36) | PARP1 | |
| SCHEMBL7158056 | 0.72 | CDK8 (0.38) | — | |
| SCHEMBL7156779 | 0.70 | MAPT (0.39) | PARP1 | |
| SCHEMBL6200485 | 0.66 | PARP1 (0.36) | PARP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |