Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | KIT | P10721 | 2/20 | 0.51 |
| ▸ | TDO2 | P48775 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6571024 | 0.97 | CYP3A4 (0.58) | ALDH1A1CYP3A4KITTDO2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6570983 | 0.95 | ALDH1A1 (0.56) | ALDH1A1CYP3A4KITTDO2SMN1; SMN2 | |
| SCHEMBL3790187 | 0.90 | CYP3A4 (0.58) | ALDH1A1CYP3A4KITTDO2SMN1; SMN2 | |
| SCHEMBL28255761 | 0.86 | TDO2 (0.55) | ALDH1A1CYP3A4TDO2SMN1; SMN2ADORA2A | |
| SCHEMBL3091866 | 0.84 | CYP3A4 (0.76) | ALDH1A1CYP3A4KITTDO2SMN1; SMN2 | |
| SCHEMBL29441703 | 0.84 | CYP3A4 (0.76) | ALDH1A1CYP3A4KITTDO2SMN1; SMN2 | |
| SCHEMBL2478623 | 0.84 | MAOA (0.54) | ALDH1A1CYP3A4KITSMN1; SMN2KMT2A | |
| SCHEMBL6011438 | 0.83 | CYP3A4 (0.58) | ALDH1A1CYP3A4KITTDO2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6574391 | 0.82 | MAOA (0.52) | ALDH1A1CYP3A4KITSMN1; SMN2KMT2A | |
| Hydrochloric Acid SCHEMBL6011564 | 0.82 | CYP3A4 (0.56) | ALDH1A1CYP3A4KITTDO2SMN1; SMN2 |
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 1 patent. 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 |