Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 12/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4975868 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP2C19CYP2C9CYP1A2SCN9A | |
| SCHEMBL4972679 | 0.87 | CYP3A4 (0.51) | CYP3A4CYP2C19CYP2C9CYP1A2SCN9A | |
| SCHEMBL4806227 | 0.80 | CYP3A4 (0.69) | CYP3A4CYP2C19CYP2C9CYP1A2SCN9A | |
| SCHEMBL9613192 | 0.79 | SCN9A (0.58) | CYP3A4CYP2C19CYP2C9CYP1A2SCN9A | |
| SCHEMBL4973710 | 0.79 | CYP3A4 (0.51) | CYP3A4CYP2C19CYP2C9CYP1A2SCN9A | |
| SCHEMBL4975169 | 0.70 | CYP3A4 (0.73) | CYP3A4CYP2C19CYP2C9CYP1A2SCN9A | |
| SCHEMBL1260037 | 0.69 | SCN9A (0.45) | CYP3A4CYP2C19CYP2C9SCN9A | |
| SCHEMBL14085365 | 0.68 | CYP3A4 (0.47) | CYP3A4CYP2C19CYP2C9CYP1A2DGAT2 | |
| SCHEMBL1260642 | 0.68 | SCN9A (0.46) | CYP3A4CYP2C19CYP2C9SCN9A | |
| SCHEMBL9613333 | 0.67 | SCN9A (0.46) | CYP3A4CYP2C19CYP2C9SCN9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1727797-B1 | PROCESS FOR CROSS COUPLING INDOLES | BOEHRINGER INGELHEIM PHARMA (US) | 2012-05-30 | — | — | EP | disclosed |