Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 3/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6572728 | 0.87 | FCGR3B (0.38) | ALDH1A1CYP2D6CYP2C19MEN1MAPT | |
| SCHEMBL6572942 | 0.86 | APP (0.41) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL6572249 | 0.84 | MAPT (0.44) | ALDH1A1L3MBTL1HPGDCYP2D6CYP2C19 | |
| SCHEMBL6572585 | 0.84 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2L3MBTL1HPGDKDM4E | |
| SCHEMBL6571323 | 0.83 | ALDH1A1 (0.35) | ALDH1A1L3MBTL1CYP2D6CYP2C19KDM4E | |
| SCHEMBL6572277 | 0.82 | KDM4E (0.40) | NPC1ALDH1A1MKNK1SMN1; SMN2HPGD | |
| SCHEMBL6572273 | 0.82 | CDK1 (0.46) | SMN1; SMN2MEN1KMT2ASLC1A3SLC1A2 | |
| SCHEMBL6574702 | 0.81 | ABL1 (0.36) | ALDH1A1CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL6571406 | 0.81 | ADRA2A (0.40) | NPC1ALDH1A1SMN1; SMN2CYP2D6CYP2C19 | |
| SCHEMBL6572389 | 0.81 | GAA (0.49) | ALDH1A1SMN1; SMN2L3MBTL1HPGDCYP2D6 |
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 3 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 |