Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C8 | P10632 | 6/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2439527 | 0.92 | CYP2C8 (0.56) | CYP2C8KCNH2CYP3A4NR1I2 | |
| SCHEMBL2444069 | 0.91 | CYP3A4 (0.49) | CYP2C8KCNH2CYP3A4NR1I2CYP2C9 | |
| SCHEMBL2439343 | 0.88 | CYP2C8 (0.46) | CYP2C8KCNH2CYP3A4NR1I2 | |
| SCHEMBL2369802 | 0.86 | CYP2C8 (0.57) | CYP2C8KCNH2CYP3A4NR1I2CYP2C9 | |
| SCHEMBL2439621 | 0.84 | CYP2C8 (0.58) | CYP2C8KCNH2CYP3A4NR1I2 | |
| SCHEMBL2437495 | 0.84 | CYP2C8 (0.45) | CYP2C8KCNH2CYP3A4NR1I2 | |
| SCHEMBL119435 | 0.81 | CYP2C8 (0.61) | CYP2C8KCNH2CYP3A4NR1I2 | |
| SCHEMBL142170 | 0.81 | CYP2C8 (0.48) | CYP2C8KCNH2CYP3A4NR1I2 | |
| SCHEMBL142169 | 0.81 | CYP2C8 (0.48) | CYP2C8KCNH2CYP3A4NR1I2 | |
| SCHEMBL144405 | 0.81 | CYP2C8 (0.48) | CYP2C8KCNH2CYP3A4NR1I2 |
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-2545051-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011112769-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-09-15 | — | — | WO | disclosed |