Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | SLC22A12 | Q96S37 | 9/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | CD38 | P28907 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4632260 | 0.89 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5901795 | 0.84 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL4633215 | 0.83 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5901850 | 0.79 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5901743 | 0.78 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5901585 | 0.78 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL4592754 | 0.77 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5901208 | 0.77 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5901522 | 0.77 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5901776 | 0.76 | SLC22A12 (0.44) | CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6 |
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 |