Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL20846142 | 0.86 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2CACNA1C | |
| SCHEMBL20846489 | 0.86 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2CACNA1C | |
| SCHEMBL20846478 | 0.86 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2CACNA1C | |
| SCHEMBL4758453 | 0.85 | CYP2C9 (0.50) | CYP3A4CYP2C9CYP2C19KCNH2CACNA1C | |
| SCHEMBL14773312 | 0.83 | CACNA1C (0.56) | CACNA1C | |
| SCHEMBL2840208 | 0.83 | CACNA1C (0.56) | CACNA1C | |
| SCHEMBL12318620 | 0.83 | CACNA1C (0.62) | CACNA1C | |
| SCHEMBL2471263 | 0.82 | TP53 (0.49) | — | |
| SCHEMBL2402562 | 0.82 | CACNA1C (0.55) | CACNA1C | |
| SCHEMBL12337749 | 0.82 | CACNA1C (0.55) | CACNA1C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7265152-B2 | Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases | VIROPHARMA INCORPORATED (US) | 2007-09-04 | — | — | US | claimed |
| 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 |