Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C8 | P10632 | 6/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.57 |
| ▸ | ABL1 | P00519 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2471970 | 0.87 | CYP2C8 (0.54) | CYP2C8CYP3A4KCNH2NR1I2ABL1 | |
| SCHEMBL121622 | 0.85 | CYP2C8 (0.79) | CYP2C8CYP3A4KCNH2NR1I2MAPK14 | |
| SCHEMBL120717 | 0.85 | CYP2C8 (0.79) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL2471646 | 0.85 | CYP2C8 (0.62) | CYP2C8CYP3A4KCNH2NR1I2MAPK14 | |
| SCHEMBL120739 | 0.78 | CYP2C8 (0.65) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL139473 | 0.76 | CYP2C8 (0.79) | CYP2C8CYP3A4KCNH2NR1I2MAPK14 | |
| SCHEMBL146317 | 0.76 | CYP2C8 (0.79) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL2141972 | 0.73 | CYP2C8 (1.00) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL2996899 | 0.73 | CYP2C8 (0.78) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL141259 | 0.73 | CYP2C8 (0.72) | CYP2C8CYP3A4KCNH2NR1I2ABL1 |
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 |