Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 3/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2434818 | 0.92 | ALDH1A1 (0.45) | ALDH1A1TRPM8NPC1KCNH2CYP3A4 | |
| SCHEMBL2437777 | 0.92 | ALDH1A1 (0.45) | ALDH1A1TRPM8KCNH2CYP3A4CYP2C8 | |
| SCHEMBL1937242 | 0.91 | ALDH1A1 (0.47) | ALDH1A1TRPM8NPC1KCNH2CYP3A4 | |
| SCHEMBL1935138 | 0.84 | ALDH1A1 (0.47) | ALDH1A1TRPM8NPC1KCNH2CYP3A4 | |
| SCHEMBL1936381 | 0.84 | CYP2C8 (0.53) | ALDH1A1TRPM8KCNH2CYP3A4CYP2C8 | |
| SCHEMBL1919040 | 0.81 | CYP2C8 (0.55) | ALDH1A1KCNH2CYP3A4CYP2C8NR1I2 | |
| SCHEMBL1936685 | 0.81 | RCE1 (0.41) | ABL1 | |
| SCHEMBL1936612 | 0.79 | CYP2C8 (0.58) | KCNH2CYP3A4CYP2C8NR1I2ABL1 | |
| SCHEMBL1936895 | 0.76 | CYP2C8 (0.54) | KCNH2CYP3A4CYP2C8NR1I2ABL1 | |
| SCHEMBL1918701 | 0.75 | CYP2C8 (0.54) | ALDH1A1TRPM8KCNH2CYP3A4CYP2C8 |
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 |