Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | BUB1 | O43683 | 2/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.33 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.32 |
| ▸ | CDC7 | O00311 | 2/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7480517 | 0.87 | PARP1 (0.50) | PARP1GAAALDH1A1NSD3MAPK1 | |
| SCHEMBL7480746 | 0.83 | PARP1 (0.36) | PARP1GAAALDH1A1 | |
| SCHEMBL7481957 | 0.77 | PARP1 (0.45) | PARP1GAAALDH1A1CYP3A4MAPK1 | |
| SCHEMBL7482826 | 0.77 | TOP1 (0.35) | — | |
| SCHEMBL7482126 | 0.75 | TDP1 (0.39) | ALDH1A1CYP2C19MAPK1 | |
| SCHEMBL15730718 | 0.70 | POLQ (0.33) | — | |
| SCHEMBL25611734 | 0.66 | MAPK14 (0.46) | MAPK14BRAFMAPK13MAPK12MAPK11 | |
| SCHEMBL27512259 | 0.64 | KDM4C (0.48) | MAPK14GAAALDH1A1KDM4CBRAF | |
| SCHEMBL28380587 | 0.64 | CCNA2 (0.46) | ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL8268002 | 0.61 | HPGD (0.64) | GAAALDH1A1MAPK1 |
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-1177185-A1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000069846-A1 | 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-11-23 | — | — | WO | disclosed |