Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18038612 | 0.83 | KCNH2 (0.43) | KCNH2CYP2C8KDM4EALDH1A1HPGD | |
| SCHEMBL6120196 | 0.83 | CYP3A4 (0.48) | KCNH2CYP2C8CYP3A4 | |
| SCHEMBL1919191 | 0.82 | L3MBTL1 (0.53) | KCNH2CYP2C8CYP3A4 | |
| SCHEMBL19197887 | 0.80 | KCNH2 (0.50) | KCNH2CYP2C8CYP3A4 | |
| SCHEMBL1918982 | 0.80 | KCNH2 (0.52) | KCNH2CYP2C8 | |
| SCHEMBL2368951 | 0.79 | KCNH2 (0.41) | KCNH2CYP2C8KDM4ENPC1ALDH1A1 | |
| SCHEMBL17464345 | 0.78 | ANO1 (0.42) | KCNH2CYP2C8CYP3A4 | |
| SCHEMBL2842305 | 0.77 | CYP3A4 (0.54) | KCNH2CYP2C8CYP3A4 | |
| SCHEMBL17466573 | 0.76 | KCNH2 (0.49) | KCNH2CYP2C8CYP3A4 | |
| SCHEMBL19198543 | 0.76 | KCNH2 (0.41) | KCNH2CYP2C8CYP3A4 |
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-2545051-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2013-01-16 | — | — | EP | claimed |
| WO-2011112769-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-09-15 | — | — | WO | claimed |