Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C8 | P10632 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | DGAT2 | Q96PD7 | 5/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1936864 | 0.82 | CYP2C8 (0.49) | CYP2C8CYP3A4KCNH2NR1I2DGAT2 | |
| SCHEMBL1937126 | 0.79 | CYP2C8 (0.63) | CYP2C8CYP3A4KCNH2NR1I2DGAT2 | |
| SCHEMBL1936127 | 0.74 | CYP2C8 (0.61) | CYP2C8CYP3A4KCNH2NR1I2CNR1 | |
| SCHEMBL2463689 | 0.74 | CYP2C8 (0.46) | CYP2C8CYP3A4KCNH2NR1I2DGAT2 | |
| SCHEMBL1936642 | 0.73 | CYP2C8 (0.65) | CYP2C8CYP3A4KCNH2NR1I2CNR1 | |
| SCHEMBL667483 | 0.72 | CYP2C8 (0.46) | CYP2C8CYP3A4KCNH2NR1I2DGAT2 | |
| SCHEMBL2464955 | 0.70 | CYP2C8 (0.60) | CYP2C8CYP3A4KCNH2NR1I2DGAT2 | |
| SCHEMBL1936129 | 0.70 | CYP2C8 (0.60) | CYP2C8CYP3A4KCNH2NR1I2CNR1 | |
| SCHEMBL1937048 | 0.68 | CYP2C8 (0.53) | CYP2C8CYP3A4KCNH2NR1I2ACKR3 | |
| SCHEMBL2994579 | 0.68 | CYP2C8 (0.70) | 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 |
|---|---|---|---|---|---|---|---|
| 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 |