Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.80 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL3565319 | 0.89 | NR1H4 (1.00) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29880535 | 0.89 | NR1H4 (1.00) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3565324 | 0.89 | NR1H4 (1.00) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29881154 | 0.88 | NR1H4 (0.81) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3567390 | 0.88 | NR1H4 (0.81) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3566334 | 0.87 | NR1H4 (0.76) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29881228 | 0.87 | NR1H4 (0.76) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3569536 | 0.87 | NR1H4 (1.00) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3559083 | 0.87 | NR1H4 (0.96) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3568476 | 0.87 | NR1H4 (1.00) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7645785-B2 | Benzimidazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-01-12 | — | — | US | claimed |