Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.47 |
| ▸ | AXL | P30530 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | TTK | P33981 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1770830 | 0.90 | CYP11B1 (0.52) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL27717288 | 0.85 | CYP11B1 (0.49) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL6171120 | 0.79 | CYP2A6 (0.51) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL4470418 | 0.79 | CYP2A6 (0.51) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL7085711 | 0.79 | MKNK1 (0.55) | CYP3A4MKNK1MKNK2CYP11B1CYP11B2 | |
| SCHEMBL7089458 | 0.78 | AURKB (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL29394740 | 0.77 | CYP2A6 (0.61) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL6572093 | 0.77 | PDE4A (0.50) | CYP2A6CYP3A4CYP2B6ALDH1A1KDM4E | |
| SCHEMBL2377996 | 0.77 | MKNK1 (0.58) | CYP2A6CYP3A4MKNK1MKNK2MEN1 | |
| SCHEMBL29898220 | 0.77 | ALDH1A1 (0.61) | CYP2A6CYP3A4MKNK1MKNK2MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1052252-B1 | Diaminobenzene derivatives and dyeing preparations containing them | WELLA AG (DE) | 2003-08-06 | — | — | EP | claimed |
| US-6461388-B1 | Diaminobenzene derivative compounds and dye compositions containing same | WELLA AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | claimed |
| EP-1052252-A1 | Diaminobenzene derivatives and dyeing preparations containing them | Wella Aktiengesellschaft (DE) | 2000-11-15 | — | — | EP | claimed |
| EP-1052252-B1 | Diaminobenzene derivatives and dyeing preparations containing them | WELLA AG (DE) | 2003-08-06 | — | — | EP | disclosed |
| US-6461388-B1 | Diaminobenzene derivative compounds and dye compositions containing same | WELLA AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| EP-1052252-A1 | Diaminobenzene derivatives and dyeing preparations containing them | Wella Aktiengesellschaft (DE) | 2000-11-15 | — | — | EP | disclosed |