Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6136842 | 0.83 | THRB (0.48) | ALDH1A1CYP3A4NPC1RAB9AATM | |
| SCHEMBL4962984 | 0.80 | CYP3A4 (0.43) | ALDH1A1CYP3A4NPC1RAB9AATM | |
| SCHEMBL7812161 | 0.79 | RAB9A (0.41) | ALDH1A1CYP3A4NPC1RAB9AATM | |
| SCHEMBL7800654 | 0.74 | MAPT (0.39) | ALDH1A1CYP3A4NPC1RAB9AATM | |
| SCHEMBL7800711 | 0.74 | NPC1 (0.36) | ALDH1A1CYP3A4NPC1RAB9AATM | |
| SCHEMBL7800689 | 0.73 | KCNH2 (0.46) | ALDH1A1CYP3A4NPC1RAB9AATM | |
| SCHEMBL20360672 | 0.72 | TDO2 (0.52) | ALDH1A1CYP3A4NPC1RAB9AATM | |
| SCHEMBL33847 | 0.72 | KCNH2 (0.53) | ALDH1A1CYP3A4NPC1RAB9AATM | |
| SCHEMBL11027867 | 0.71 | NPC1 (0.33) | ALDH1A1CYP3A4NPC1RAB9AATM | |
| SCHEMBL11111178 | 0.71 | AHR (0.46) | ALDH1A1CYP3A4NPC1RAB9AATM |
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-0943614-B1 | Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives | WELLA AG (DE) | 2001-12-12 | — | — | EP | disclosed |
| US-6042620-A | FOR DYEING KERATIN FIBERS SUCH AS HAIR | WELLA AG (DE) | 2000-03-28 | — | — | US | disclosed |
| EP-0943614-A2 | Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives | Wella Aktiengesellschaft (DE) | 1999-09-22 | — | — | EP | disclosed |