Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | TDP2 | O95551 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8107888 | 0.87 | CHEK1 (0.38) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL8107883 | 0.83 | MAPK1 (0.36) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL27735945 | 0.83 | DPP4 (0.50) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL6570988 | 0.81 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6571889 | 0.80 | ALDH1A1 (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL23579382 | 0.79 | HTR2A (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL6572647 | 0.79 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL6572242 | 0.79 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL5133404 | 0.78 | ALDH1A1 (0.65) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7690821 | 0.77 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 |
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 |