Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2845046 | 0.88 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL2840249 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL2840619 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL2839310 | 0.82 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL2840686 | 0.82 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL2845058 | 0.81 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL2835855 | 0.81 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL2839561 | 0.81 | CYP2C9 (0.42) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL2879661 | 0.81 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 | |
| SCHEMBL2839438 | 0.81 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19KCNH2CYP2C8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4537315-B2 | — | — | 2010-09-01 | — | — | JP | claimed |
| EP-1581207-A4 | BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES | VIROPHARMA INC (US) | 2007-07-25 | — | — | EP | claimed |
| JP-2006510736-A | — | — | 2006-03-30 | — | — | JP | claimed |
| EP-1581207-A2 | BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES | Viropharma Incorporated (US) | 2005-10-05 | — | — | EP | claimed |
| WO-2004041201-A2 | BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES | VIROPHARMA INCORPORATED (US) | 2004-05-21 | — | — | WO | claimed |