Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C8 | P10632 | 6/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1918435 | 0.93 | CYP2C8 (0.65) | CYP2C8CYP3A4KCNH2NR1I2ALDH1A1 | |
| SCHEMBL1919040 | 0.92 | CYP2C8 (0.55) | CYP2C8CYP3A4KCNH2NR1I2ALDH1A1 | |
| SCHEMBL1917701 | 0.91 | CYP3A4 (0.55) | CYP2C8CYP3A4KCNH2NR1I2ALDH1A1 | |
| SCHEMBL1919264 | 0.91 | CYP2C8 (0.55) | CYP2C8CYP3A4KCNH2NR1I2ALDH1A1 | |
| SCHEMBL1918701 | 0.91 | CYP2C8 (0.54) | CYP2C8CYP3A4KCNH2NR1I2ALDH1A1 | |
| SCHEMBL1919881 | 0.90 | CYP3A4 (0.51) | CYP2C8CYP3A4KCNH2NR1I2ALDH1A1 | |
| SCHEMBL1918491 | 0.89 | CYP2C8 (0.55) | CYP2C8CYP3A4KCNH2NR1I2ALDH1A1 | |
| SCHEMBL1920111 | 0.89 | CYP2C8 (0.52) | CYP2C8CYP3A4KCNH2NR1I2ALDH1A1 | |
| SCHEMBL1918465 | 0.89 | CYP2C8 (0.55) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL1919223 | 0.88 | CYP2C8 (0.51) | CYP2C8CYP3A4KCNH2NR1I2ALDH1A1 |
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 4 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 |
| EP-2326633-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2011-06-01 | — | — | EP | disclosed |
| WO-2010030592-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-03-18 | — | — | WO | disclosed |