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 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.39 |
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 | 0.86 | CYP2C9 (0.62) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8477410 | 0.85 | CYP2C9 (0.55) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8476301 | 0.84 | CYP2C9 (0.61) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8482093 | 0.84 | CYP2C9 (0.61) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8476431 | 0.83 | CYP2C9 (0.59) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8481775 | 0.83 | CYP2C9 (0.60) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8481581 | 0.83 | CYP2C9 (0.60) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8482038 | 0.82 | CYP2C9 (0.68) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8479050 | 0.82 | CYP2C9 (0.57) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8480443 | 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 |