Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 9/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PRKCA | P17252 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL51073 | 0.91 | KCNH2 (0.63) | KCNH2NR1I2CYP3A4SCN5ACYP2C9 | |
| SCHEMBL4849968 | 0.91 | NR1I2 (0.51) | KCNH2NR1I2CYP3A4SCN5ACYP2C9 | |
| SCHEMBL13841704 | 0.90 | KCNH2 (0.51) | KCNH2NR1I2CYP3A4SCN5ACYP2C9 | |
| SCHEMBL13936775 | 0.90 | NR1I2 (0.51) | KCNH2NR1I2CYP3A4SCN5ACYP2C9 | |
| SCHEMBL4006860 | 0.87 | NR1I2 (0.57) | KCNH2NR1I2CYP3A4SCN5ACYP2C9 | |
| SCHEMBL12954600 | 0.87 | NR1I2 (0.70) | KCNH2NR1I2CYP3A4SCN5ACYP2C9 | |
| SCHEMBL13936794 | 0.84 | KCNH2 (0.63) | KCNH2NR1I2CYP3A4SCN5ACYP2C9 | |
| SCHEMBL13936728 | 0.84 | KCNH2 (0.63) | KCNH2NR1I2CYP3A4SCN5ACYP2C9 | |
| SCHEMBL3928566 | 0.84 | KCNH2 (0.63) | KCNH2NR1I2CYP3A4SCN5ACYP2C9 | |
| SCHEMBL4492772 | 0.84 | KCNH2 (0.63) | KCNH2NR1I2CYP3A4SCN5ACYP2C9 |
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 |