Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | S100B | P04271 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL6570799 | 0.90 | GRM2 (0.38) | ALDH1A1S100BF2PRSS1PRSS2 | |
| SCHEMBL6570859 | 0.90 | S100B (0.37) | ALDH1A1CYP3A4TDP1TSHRMAPK1 | |
| SCHEMBL6572008 | 0.90 | MAPT (0.35) | ALDH1A1CYP3A4TDP1TSHRMAPK1 | |
| SCHEMBL6571056 | 0.89 | MGAM (0.36) | S100BF2PRSS1PRSS2PRSS3 | |
| SCHEMBL6572478 | 0.89 | S100B (0.33) | ALDH1A1CYP3A4TDP1TSHRS100B | |
| SCHEMBL6572323 | 0.89 | ALOX15 (0.40) | ALDH1A1CYP3A4TDP1MAPTALOX15 | |
| SCHEMBL6571984 | 0.89 | S100B (0.36) | ALDH1A1CYP3A4TDP1TSHRMAPK1 | |
| SCHEMBL6574728 | 0.89 | KMT2A (0.41) | CYP3A4S100BF2PRSS1PRSS2 | |
| SCHEMBL6573501 | 0.88 | S100B (0.35) | S100B | |
| SCHEMBL6571926 | 0.87 | F2 (0.38) | ALDH1A1TSHRS100BF2PRSS1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1051143-B1 | OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES | WELLA AG (DE) | 2004-07-21 | — | — | EP | claimed |
| EP-1051143-B1 | OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES | WELLA AG (DE) | 2004-07-21 | — | — | EP | disclosed |
| US-6500213-B1 | Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives | WELLA AKTIENGESELLSCHAFT (DE) | 2002-12-31 | — | — | US | disclosed |
| EP-1051143-A2 | OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES | Wella Aktiengesellschaft (DE) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999059527-A2 | OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES | WELLA AKTIENGESELLSCHAFT (DE) | 1999-11-25 | — | — | WO | disclosed |