Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C8 | P10632 | 6/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.67 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.67 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12390463 | 0.92 | CYP2C8 (0.68) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL2138413 | 0.91 | CYP2C8 (0.73) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL1918440 | 0.87 | CYP2C8 (0.71) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL2142742 | 0.85 | CYP2C8 (0.71) | CYP2C8CYP3A4KCNH2NR1I2ADORA2A | |
| SCHEMBL2140231 | 0.85 | CYP2C8 (0.77) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL2138597 | 0.84 | CYP2C8 (0.76) | CYP2C8CYP3A4KCNH2NR1I2ADORA2A | |
| SCHEMBL2141956 | 0.84 | CYP2C8 (0.71) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL10242001 | 0.84 | CYP2C8 (0.80) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL2140436 | 0.84 | CYP2C8 (0.69) | CYP2C8CYP3A4KCNH2NR1I2 | |
| SCHEMBL1920115 | 0.84 | CYP2C8 (0.69) | CYP2C8CYP3A4KCNH2NR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8148382-B2 | Compounds for the treatment of hepatitis C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-03 | — | — | US | disclosed |
| US-8148382-B2 | Compounds for the treatment of hepatitis C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-03 | — | — | US | disclosed |