Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 6/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 4/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | PDE6D | O43924 | 1/20 | 0.37 |
| ▸ | PDE6A | P16499 | 1/20 | 0.37 |
| ▸ | PDE6G | P18545 | 1/20 | 0.37 |
| ▸ | PDE6B | P35913 | 1/20 | 0.37 |
| ▸ | PDE6C | P51160 | 1/20 | 0.37 |
| ▸ | PDE6H | Q13956 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | MAP2 | P11137 | 1/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.35 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.35 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.35 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8479277 | 0.88 | CYP2C9 (0.62) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8476301 | 0.87 | CYP2C9 (0.61) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8482093 | 0.87 | CYP2C9 (0.61) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8481581 | 0.86 | CYP2C9 (0.60) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8481775 | 0.86 | CYP2C9 (0.60) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8481578 | 0.84 | CYP2C9 (0.58) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8479050 | 0.84 | CYP2C9 (0.57) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8482038 | 0.82 | CYP2C9 (0.68) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8476431 | 0.82 | CYP2C9 (0.59) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8479554 | 0.82 | CYP2C9 (0.59) | 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 |