Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | PTGES | O14684 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CD38 | P28907 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 5/20 | 0.32 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL5902145 | 0.94 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL5902053 | 0.88 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL5901886 | 0.88 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL5901500 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL5901826 | 0.86 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL5901881 | 0.82 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL5902197 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL5901199 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL5901401 | 0.81 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL5901592 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19 |
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-1926714-A1 | ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | Nycomed GmbH (DE) | 2008-06-04 | — | — | EP | claimed |
| WO-2007023135-A1 | ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | NYCOMED GMBH (DE) | 2007-03-01 | — | — | WO | claimed |
| EP-1926714-A1 | ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | Nycomed GmbH (DE) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007023135-A1 | ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | NYCOMED GMBH (DE) | 2007-03-01 | — | — | WO | disclosed |