Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANO1 | Q5XXA6 | 13/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 3/20 | 0.45 |
| ▸ | BCHE | P06276 | 3/20 | 0.45 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 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 | |
|---|---|---|---|---|
| SCHEMBL15455340 | 0.93 | CYP3A4 (0.47) | ANO1CYP3A4CYP2C9CYP2C19CNR2 | |
| SCHEMBL5495437 | 0.92 | CYP2C9 (0.56) | ANO1CYP3A4CYP2C9CYP2C19CNR2 | |
| SCHEMBL15455660 | 0.88 | ANO1 (0.41) | ANO1CYP3A4CYP2C9CYP2C19CNR2 | |
| SCHEMBL15456744 | 0.87 | CNR2 (0.39) | ANO1CYP3A4CYP2C9CYP2C19CNR2 | |
| SCHEMBL2839117 | 0.85 | CYP2C9 (0.58) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2836711 | 0.84 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2838680 | 0.83 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15456132 | 0.82 | CYP3A4 (0.37) | ANO1CYP3A4CYP2C9CYP2C19CNR2 | |
| SCHEMBL2843650 | 0.82 | CYP3A4 (0.57) | ANO1CYP3A4CYP2C9CYP2C19CNR2 | |
| SCHEMBL2296946 | 0.82 | CYP2C9 (0.61) | CYP3A4CYP2C9CYP2C19 |
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 |