Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 6/20 | 0.38 |
| ▸ | PRKCA | P17252 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1118203 | 1.00 | KCNH2 (0.38) | KCNH2NR1I2PRKCAMMP12CYP3A4 | |
| SCHEMBL271161 | 0.91 | KCNH2 (0.37) | KCNH2NR1I2CYP3A4SCN5ACYP2C9 | |
| SCHEMBL271162 | 0.91 | KCNH2 (0.37) | KCNH2NR1I2CYP3A4SCN5ACYP2C9 | |
| SCHEMBL271729 | 0.90 | NR1I2 (0.40) | KCNH2NR1I2PRKCAMMP12CYP3A4 | |
| SCHEMBL271728 | 0.90 | NR1I2 (0.40) | KCNH2NR1I2PRKCAMMP12CYP3A4 | |
| SCHEMBL271727 | 0.90 | NR1I2 (0.40) | KCNH2NR1I2PRKCAMMP12CYP3A4 | |
| SCHEMBL878933 | 0.84 | NR1I2 (0.37) | KCNH2NR1I2PRKCAMMP12CYP3A4 | |
| SCHEMBL13621448 | 0.84 | KCNH2 (0.38) | KCNH2NR1I2PRKCAMMP12CYP3A4 | |
| SCHEMBL4498396 | 0.84 | NR1I2 (0.45) | KCNH2NR1I2PRKCAMMP12CYP3A4 | |
| SCHEMBL841201 | 0.84 | NR1I2 (0.42) | KCNH2NR1I2PRKCAMMP12CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2280975-A1 | 7H-INDOLOÝ2,1-A¨Ý2¨BENZAZEPINE-10-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2011-02-09 | — | — | EP | disclosed |
| WO-2009137454-A1 | 7H-INDOLO[2,1-A] [2] BENZAZEPINE-10-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-12 | — | — | WO | disclosed |