Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 18/20 | 0.47 |
| ▸ | PDE6D | O43924 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL197272 | 0.89 | PDE6D (0.52) | NR1H4PDE6D | |
| SCHEMBL200042 | 0.82 | PDE6D (0.51) | NR1H4PDE6DCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL197489 | 0.78 | NR1H4 (0.48) | NR1H4CYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL197277 | 0.77 | NR1H4 (0.47) | NR1H4CYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL14796852 | 0.75 | NR1H4 (0.49) | NR1H4CYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL197487 | 0.73 | NR1H4 (0.42) | NR1H4CYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL198027 | 0.73 | NR1H4 (0.49) | NR1H4CYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL198351 | 0.72 | PDE6D (0.57) | NR1H4PDE6D | |
| SCHEMBL3445827 | 0.71 | NR1H4 (0.74) | NR1H4CYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL198410 | 0.71 | PDE6D (0.56) | NR1H4PDE6DCYP3A4CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2321282-B1 | NEW BENZIMIDAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2013-03-27 | — | — | EP | disclosed |