Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.31 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7453753 | 0.77 | ALDH1A1 (0.32) | KDRAURKBIKBKETBK1 | |
| SCHEMBL7456616 | 0.77 | PTGER4 (0.36) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL7457328 | 0.77 | CHEK1 (0.33) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3790061 | 0.75 | HTR6 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6571858 | 0.75 | HTR6 (0.32) | CYP3A4 | |
| SCHEMBL3788714 | 0.75 | ALDH1A1 (0.48) | ASH1L | |
| SCHEMBL7457112 | 0.75 | CYP3A4 (0.36) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL7461062 | 0.75 | ALDH1A1 (0.39) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6570748 | 0.74 | TDP1 (0.39) | CYP3A4 | |
| SCHEMBL7461521 | 0.73 | ALDH1A1 (0.41) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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-0963982-B1 | New diaminobenzene derivatives and these componends containing colouring agents | WELLA AG (DE) | 2002-03-13 | — | — | EP | disclosed |
| US-6132475-A | FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS | WELLA AKTIENGESELLSCHAFT (DE) | 2000-10-17 | — | — | US | disclosed |
| EP-0963982-A2 | New diaminobenzene derivatives and these componends containing colouring agents | Wella Aktiengesellschaft (DE) | 1999-12-15 | — | — | EP | disclosed |