Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL246247 | 0.93 | DDR2 (0.39) | KCNH2CYP2C8CYP3A4HPGD | |
| SCHEMBL2436747 | 0.79 | AR (0.45) | KCNH2CYP2C8CYP3A4KDM4ENPC1 | |
| SCHEMBL2369389 | 0.79 | CYP3A4 (0.44) | KCNH2CYP2C8CYP3A4KDM4ENPC1 | |
| SCHEMBL1918982 | 0.78 | KCNH2 (0.52) | KCNH2CYP2C8 | |
| SCHEMBL19197887 | 0.78 | KCNH2 (0.50) | KCNH2CYP2C8CYP3A4 | |
| SCHEMBL16113969 | 0.76 | KCNH2 (0.40) | KCNH2CYP2C8CYP3A4 | |
| SCHEMBL1919191 | 0.75 | L3MBTL1 (0.53) | KCNH2CYP2C8CYP3A4 | |
| SCHEMBL2842305 | 0.75 | CYP3A4 (0.54) | KCNH2CYP2C8CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19198543 | 0.74 | KCNH2 (0.41) | KCNH2CYP2C8CYP3A4 | |
| SCHEMBL17466573 | 0.74 | KCNH2 (0.49) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2649067-A1 | BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C | Bristol-Myers Squibb Company (US) | 2013-10-16 | — | — | EP | disclosed |
| EP-2545042-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2013-01-16 | — | — | EP | disclosed |
| WO-2012078545-A1 | BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-14 | — | — | WO | disclosed |
| WO-2011112191-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-09-15 | — | — | WO | disclosed |