Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.36 |
| ▸ | MERTK | Q12866 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7456616 | 0.92 | PTGER4 (0.36) | CYP3A4AXLMERTKCYP1A2CYP2D6 | |
| SCHEMBL7461062 | 0.83 | ALDH1A1 (0.39) | CYP3A4AXLCYP1A2CYP2D6CYP19A1 | |
| SCHEMBL7453753 | 0.80 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL7460255 | 0.79 | PTGER4 (0.35) | CYP3A4AXLMERTKPTGER4CNR2 | |
| SCHEMBL7458222 | 0.78 | PTGER4 (0.43) | CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL7808514 | 0.78 | AXL (0.36) | AXLMERTKCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7462786 | 0.78 | HDAC1 (0.39) | CYP3A4PTGER4CNR2DYRK1AKCNH3 | |
| SCHEMBL7458534 | 0.78 | HDAC2 (0.39) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7465171 | 0.75 | ASH1L (0.32) | CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL7462136 | 0.74 | CYP1A2 (0.35) | CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9 |
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 |