Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1936239 | 0.90 | CYP2C8 (0.54) | ALDH1A1CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL2436952 | 0.87 | ALDH1A1 (0.45) | ALDH1A1CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL1917571 | 0.85 | CYP3A4 (0.51) | ALDH1A1CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL1917701 | 0.83 | CYP3A4 (0.55) | ALDH1A1CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL1918592 | 0.83 | CYP2C8 (0.56) | ALDH1A1CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL1918435 | 0.83 | CYP2C8 (0.65) | ALDH1A1CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL1919040 | 0.82 | CYP2C8 (0.55) | ALDH1A1CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL1919264 | 0.82 | CYP2C8 (0.55) | ALDH1A1CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL1918933 | 0.81 | — | — | |
| SCHEMBL1918701 | 0.81 | CYP2C8 (0.54) | ALDH1A1CYP2C8CYP3A4KCNH2NR1I2 |
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-2545050-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011112186-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-09-15 | — | — | WO | disclosed |