Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 2/20 | 0.41 |
| ▸ | CCR5 | P51681 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| 2-Mercaptoethanol SCHEMBL7793761 | 0.95 | CYP1A2 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| 2-Mercaptoethanol SCHEMBL7785054 | 0.95 | CYP1A2 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL7790789 | 0.89 | CYP2D6 (0.67) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| 2-Mercaptoethanol SCHEMBL7784953 | 0.88 | CBFB (0.45) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| 2-Mercaptopyridine SCHEMBL7790795 | 0.86 | CYP2D6 (0.56) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9676963 | 0.84 | CYP1A2 (0.59) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL7784900 | 0.84 | CYP1A2 (0.59) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL17899680 | 0.83 | CCR1 (0.50) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30930809 | 0.83 | CCR1 (0.50) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| Hydrochloric Acid SCHEMBL9679292 | 0.82 | CYP1A2 (0.57) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1155025-A1 | PLATINUM (II) COMPOUNDS | ISIS INNOVATION LIMITED (GB) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000050431-A1 | PLATINUM (II) COMPOUNDS | ISIS INNOVATION LIMITED (GB) | 2000-08-31 | — | — | WO | disclosed |