Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL198413 | 0.90 | NR1H4 (0.48) | NR1H4CYP3A4CYP2C9CYP2D6KCNH2 | |
| SCHEMBL198027 | 0.82 | NR1H4 (0.49) | NR1H4CYP3A4CYP2C9CYP2D6KCNH2 | |
| SCHEMBL197759 | 0.81 | NR1H4 (0.51) | NR1H4CYP3A4CYP2C9CYP2D6KCNH2 | |
| SCHEMBL197309 | 0.81 | NR1H4 (0.51) | NR1H4CYP3A4CYP2C9CYP2D6KCNH2 | |
| SCHEMBL197489 | 0.81 | NR1H4 (0.48) | NR1H4CYP3A4CYP2C9CYP2D6KCNH2 | |
| SCHEMBL197277 | 0.80 | NR1H4 (0.47) | NR1H4CYP3A4CYP2C9CYP2D6KCNH2 | |
| SCHEMBL197392 | 0.78 | NR1H4 (0.53) | NR1H4CYP3A4CYP2C9CYP2D6KCNH2 | |
| SCHEMBL197497 | 0.78 | NR1H4 (0.48) | NR1H4CYP3A4CYP2C9CYP2D6KCNH2 | |
| SCHEMBL197645 | 0.77 | NR1H4 (0.47) | NR1H4CYP3A4CYP2C9CYP2D6KCNH2 | |
| SCHEMBL197487 | 0.76 | NR1H4 (0.42) | NR1H4CYP3A4CYP2C9CYP2D6KCNH2 |
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 | claimed |