Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6571234 | 0.98 | ALDH1A1 (0.58) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL6011173 | 0.86 | ALDH1A1 (0.55) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6574984 | 0.85 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL6572244 | 0.83 | NPC1 (0.53) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL27185972 | 0.83 | ALDH1A1 (0.55) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL11004268 | 0.83 | ALDH1A1 (0.61) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL30206740 | 0.83 | ALDH1A1 (0.61) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL30206743 | 0.83 | ALDH1A1 (0.61) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL6011418 | 0.82 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6786006 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CYP3A4MAPTMEN1KMT2A |
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 |