Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | BRS3 | P32247 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1936301 | 0.82 | TYRO3 (0.46) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL18809708 | 0.79 | CYP3A4 (0.44) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL1935982 | 0.77 | NEK1 (0.46) | CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1919452 | 0.76 | CYP3A4 (0.55) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL1935460 | 0.76 | CYP3A4 (0.41) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL17464377 | 0.76 | CYP3A4 (0.58) | CYP3A4CYP2C8KCNH2 | |
| SCHEMBL1935043 | 0.76 | CYP3A4 (0.42) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL17108305 | 0.75 | CYP3A4 (0.49) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL2562440 | 0.75 | CYP2C8 (0.47) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL17464384 | 0.75 | CYP3A4 (0.46) | CYP3A4CYP2C8KCNH2 |
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-2331502-A2 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010030538-A2 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-03-18 | — | — | WO | disclosed |