Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | KDM1B | Q8NB78 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6011438 | 0.76 | CYP3A4 (0.58) | TDO2MAOBALDH1A1CYP3A4ADORA2A | |
| Hydrochloric Acid SCHEMBL6011564 | 0.75 | CYP3A4 (0.56) | TDO2MAOBALDH1A1CYP3A4ADORA2A | |
| SCHEMBL8060933 | 0.74 | CYP1A2 (0.33) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6571024 | 0.73 | CYP3A4 (0.58) | TDO2MAOBALDH1A1CYP3A4ADORA2A | |
| SCHEMBL396757 | 0.73 | TDO2 (0.55) | TDO2MAOBALDH1A1CYP3A4ADORA2A | |
| SCHEMBL30785681 | 0.73 | TDO2 (0.55) | TDO2MAOBALDH1A1CYP3A4ADORA2A | |
| Hydrochloric Acid SCHEMBL6570983 | 0.72 | ALDH1A1 (0.56) | TDO2MAOBALDH1A1CYP3A4ADORA2A | |
| SCHEMBL8105931 | 0.71 | CDK2 (0.31) | — | |
| SCHEMBL7812159 | 0.71 | KCNH2 (0.40) | TDO2ALDH1A1ADORA2AADORA1LMNA | |
| SCHEMBL6571312 | 0.71 | ALDH1A1 (0.44) | TDO2MAOBALDH1A1CYP3A4ADORA2A |
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 4 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 |
| 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 |