Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL20846489 | 0.91 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2CACNA1C | |
| SCHEMBL20846478 | 0.89 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2CACNA1C | |
| SCHEMBL5514943 | 0.86 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19KCNH2CACNA1C | |
| SCHEMBL20846373 | 0.85 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19KCNH2CACNA1C | |
| SCHEMBL2836515 | 0.80 | KDM4E (0.48) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL4758453 | 0.79 | CYP2C9 (0.50) | CYP3A4CYP2C9CYP2C19KCNH2CACNA1C | |
| SCHEMBL2840810 | 0.78 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19KCNH2CACNA1C | |
| SCHEMBL19797951 | 0.78 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL2842305 | 0.78 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL1919191 | 0.78 | L3MBTL1 (0.53) | CYP3A4KCNH2CYP2C8CNR1CNR2 |
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-3013333-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME (US) | 2019-03-27 | — | — | EP | disclosed |