Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 6/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1918632 | 0.90 | CYP3A4 (0.60) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 | |
| SCHEMBL28005409 | 0.89 | CYP3A4 (0.49) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 | |
| SCHEMBL28005369 | 0.88 | CYP2C8 (0.48) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 | |
| Hydrochloric Acid SCHEMBL28005373 | 0.87 | CYP2C8 (0.47) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 | |
| SCHEMBL28005336 | 0.83 | CYP2C8 (0.53) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL28005662 | 0.81 | CYP2C8 (0.60) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL28005412 | 0.79 | CYP2C8 (0.73) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL10240811 | 0.78 | CYP3A4 (0.52) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL28005372 | 0.78 | CYP2C8 (0.58) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL1918488 | 0.78 | CYP3A4 (0.61) | CYP3A4CYP2C8KCNH2NR1I2CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102209717-B | Compounds for the treatment of hepatitis c | BRISTOL MYERS SQUIBB CO | 2015-02-18 | — | — | CN | disclosed |