Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5849544 | 0.82 | CYP3A4 (0.37) | CYP1A2CYP2D6MAPTTDP1CYP3A4 | |
| SCHEMBL8432187 | 0.75 | PDE1A (0.36) | CYP1A2MAPTHTR2AHTR2CHTR2B | |
| SCHEMBL9757485 | 0.74 | IMPDH2 (0.35) | — | |
| SCHEMBL11866227 | 0.73 | CYP2D6 (0.36) | CYP2D6MAPTCYP19A1NPC1KMT2A | |
| SCHEMBL17006092 | 0.71 | CYP1A2 (0.39) | CYP1A2CYP2D6MAPTHTR2AHTR2C | |
| SCHEMBL2876252 | 0.70 | CHEK1 (0.43) | MAPTKDM4EPOLBKMT2ATDP1 | |
| SCHEMBL11871207 | 0.69 | IMPDH2 (0.33) | MAPTHTR2AHTR2CHTR2BCYP19A1 | |
| SCHEMBL8472752 | 0.69 | CYP1A2 (0.49) | CYP1A2CYP2D6HTR2ACYP19A1PDE4A | |
| SCHEMBL5272609 | 0.69 | KMT2A (0.45) | CYP1A2CYP2D6MAPTHTR2AHTR2C | |
| SCHEMBL5275579 | 0.69 | HTR2A (0.37) | CYP1A2CYP2D6MAPTHTR2AHTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5368610-A | Use of metal salts and chelates together with chlorites as oxidants in hair coloring | CLAIROL INCORPORATED (US) | 1994-11-29 | — | — | US | disclosed |
| EP-0621029-A1 | Use of metal salts and chelates together with chlorites as oxidants in hair coloring | Bristol-Myers Squibb Company (US) | 1994-10-26 | — | — | EP | disclosed |