Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 10/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | PIM1 | P11309 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | CLK2 | P49760 | 2/20 | 0.47 |
| ▸ | GSK3B | P49841 | 2/20 | 0.47 |
| ▸ | CAMK2B | Q13554 | 2/20 | 0.47 |
| ▸ | CAMK2G | Q13555 | 2/20 | 0.47 |
| ▸ | CAMK2D | Q13557 | 2/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.47 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.47 |
| ▸ | PLK3 | Q9H4B4 | 2/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.47 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8479190 | 0.96 | CYP2C9 (0.73) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL8480429 | 0.88 | CYP2C9 (0.62) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL7485392 | 0.85 | PIM1 (0.63) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL6544425 | 0.84 | CYP2C9 (0.72) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL5158929 | 0.84 | CYP2C9 (0.86) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL8482450 | 0.84 | CYP2C9 (0.57) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL5415892 | 0.83 | CYP2C9 (0.71) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL5159391 | 0.82 | CYP2C9 (0.70) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL5160093 | 0.82 | CYP2C9 (0.64) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 | |
| Bms-223131 SCHEMBL3269828 | 0.81 | CYP2C9 (1.00) | CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5972961-A | ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES; SEXUAL DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-10-26 | — | — | US | disclosed |