Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 4/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | PDE6D | O43924 | 1/20 | 0.40 |
| ▸ | PDE6A | P16499 | 1/20 | 0.40 |
| ▸ | PDE6G | P18545 | 1/20 | 0.40 |
| ▸ | PDE6B | P35913 | 1/20 | 0.40 |
| ▸ | PDE6C | P51160 | 1/20 | 0.40 |
| ▸ | PDE6H | Q13956 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8482093 | 0.93 | CYP2C9 (0.61) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8481581 | 0.92 | CYP2C9 (0.60) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8479277 | 0.92 | CYP2C9 (0.62) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8481615 | 0.90 | CYP2C9 (0.57) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8481775 | 0.90 | CYP2C9 (0.60) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8481578 | 0.90 | CYP2C9 (0.58) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8480443 | 0.87 | CYP2C9 (0.59) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8479050 | 0.86 | CYP2C9 (0.57) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5157415 | 0.85 | CYP2C9 (0.73) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8482038 | 0.84 | CYP2C9 (0.68) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 |
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 |