Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2466024 | 0.81 | CYP3A4 (0.40) | KCNH2NR1I2CYP3A4CYP2C8ACKR3 | |
| SCHEMBL1935953 | 0.78 | CYP2C8 (0.46) | KCNH2NR1I2CYP3A4CYP2C8 | |
| SCHEMBL1936441 | 0.77 | CYP3A4 (0.40) | KCNH2NR1I2CYP3A4CYP2C8ACKR3 | |
| SCHEMBL2142749 | 0.74 | CYP3A4 (0.62) | KCNH2NR1I2CYP3A4CYP2C8 | |
| SCHEMBL2464251 | 0.71 | CYP2C8 (0.47) | KCNH2NR1I2CYP3A4CYP2C8 | |
| SCHEMBL1936876 | 0.68 | PTPN1 (0.35) | CYP3A4 | |
| SCHEMBL2991655 | 0.66 | CYP3A4 (0.39) | KCNH2NR1I2CYP3A4CYP2C8ACKR3 | |
| SCHEMBL1936957 | 0.65 | EPHB3 (0.41) | KCNH2NR1I2CYP3A4CYP2C8DGAT2 | |
| SCHEMBL1937048 | 0.65 | CYP2C8 (0.53) | KCNH2NR1I2CYP3A4CYP2C8ACKR3 | |
| SCHEMBL2143033 | 0.65 | CYP3A4 (0.60) | CYP3A4CYP2C8 |
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 |