Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 6/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 7/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14154330 | 0.92 | SCN9A (0.44) | NR1I2KCNH2CYP3A4SCN5ASCN9A | |
| SCHEMBL852517 | 0.90 | SCN9A (0.44) | NR1I2KCNH2CYP3A4SCN5ASCN9A | |
| SCHEMBL12053929 | 0.89 | KCNH2 (0.53) | NR1I2KCNH2CYP3A4SCN5ASCN9A | |
| SCHEMBL12053903 | 0.89 | KCNH2 (0.52) | NR1I2KCNH2CYP3A4SCN5ASCN9A | |
| SCHEMBL14154283 | 0.88 | SCN9A (0.45) | NR1I2KCNH2CYP3A4SCN5ASCN9A | |
| SCHEMBL15474157 | 0.86 | KCNH2 (0.54) | NR1I2KCNH2CYP3A4SCN5ASCN9A | |
| SCHEMBL12053901 | 0.86 | KCNH2 (0.54) | NR1I2KCNH2CYP3A4SCN5ASCN9A | |
| SCHEMBL12053936 | 0.86 | KCNH2 (0.54) | NR1I2KCNH2CYP3A4SCN5ASCN9A | |
| SCHEMBL12053291 | 0.85 | KCNH2 (0.47) | NR1I2KCNH2CYP3A4SCN5ASCN9A | |
| SCHEMBL5048310 | 0.85 | SCN9A (0.44) | NR1I2KCNH2CYP3A4SCN5ASCN9A |
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 |
|---|---|---|---|---|---|---|---|
| US-7485633-B2 | RNA polymerase, HCV metalloprotease, HCV serine protease, HCV polymerase, HCV helicase inhibitor; liver disease; (+/-)-8-Cyclohexyl-N-4-(morpholinosulfonyl)-1,1a,2,12b-tetrahydro-11-methoxy-1a-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-03 | — | — | US | disclosed |