Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 3/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6573199 | 0.78 | CASP1 (0.43) | CYP3A4TDP1SMN1; SMN2ALOX15TP53 | |
| SCHEMBL3794620 | 0.78 | ALDH1A1 (0.54) | CYP3A4TDP1SMN1; SMN2ALOX15TP53 | |
| SCHEMBL3786354 | 0.78 | ACHE (0.42) | CYP3A4TDP1SMN1; SMN2ALOX15TP53 | |
| SCHEMBL3338155 | 0.78 | CASP1 (0.46) | CYP3A4TDP1SMN1; SMN2ALOX15TP53 | |
| SCHEMBL28543486 | 0.77 | CASP1 (0.44) | CYP3A4TDP1SMN1; SMN2ALOX15TP53 | |
| SCHEMBL7684845 | 0.76 | ALDH1A1 (0.50) | CYP3A4TDP1SMN1; SMN2ALOX15TP53 | |
| Hydrochloric Acid SCHEMBL6572314 | 0.75 | CASP1 (0.43) | CYP3A4TDP1SMN1; SMN2ALOX15TP53 | |
| Hydrochloric Acid SCHEMBL6572317 | 0.74 | PLA2G7 (0.49) | CYP3A4TDP1SMN1; SMN2ALOX15TP53 | |
| SCHEMBL6711282 | 0.73 | CASP1 (0.46) | CYP3A4TDP1SMN1; SMN2ALOX15TP53 | |
| SCHEMBL6011294 | 0.73 | SMN1; SMN2 (0.48) | CYP3A4TDP1SMN1; SMN2ALOX15TP53 |
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 |