Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.58 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1919829 | 0.92 | CYP3A4 (0.66) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 | |
| SCHEMBL1918488 | 0.91 | CYP3A4 (0.61) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 | |
| SCHEMBL1919760 | 0.91 | CYP2C8 (0.66) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL2370170 | 0.90 | CYP2C8 (0.59) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 | |
| SCHEMBL1919689 | 0.90 | CYP3A4 (0.59) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 | |
| SCHEMBL1920481 | 0.89 | CYP2C8 (0.65) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 | |
| SCHEMBL1919541 | 0.88 | CYP2C8 (0.67) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 | |
| SCHEMBL2370328 | 0.87 | CYP2C8 (0.60) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 | |
| SCHEMBL2370021 | 0.87 | CYP3A4 (0.60) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 | |
| SCHEMBL2370690 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 |
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-2545042-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011112191-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-09-15 | — | — | WO | disclosed |