Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 13/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | GCK | P35557 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 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 | |
|---|---|---|---|---|
| SCHEMBL1841489 | 0.91 | NR1H4 (0.35) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL1839494 | 0.88 | NR1H4 (0.42) | NR1H4CYP2C9CYP3A4CYP2D6GCK | |
| SCHEMBL1839238 | 0.88 | NR1H4 (0.42) | NR1H4CYP2C9CYP3A4CYP2D6GCK | |
| SCHEMBL1839482 | 0.88 | NR1H4 (0.37) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL198768 | 0.86 | NR1H4 (0.37) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL1838970 | 0.84 | NR1H4 (0.42) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL198628 | 0.84 | NR1H4 (0.38) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL1838698 | 0.84 | NR1H4 (0.39) | NR1H4CYP2C9CYP3A4CYP2D6GCK | |
| SCHEMBL1843868 | 0.83 | NR1H4 (0.36) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL1839527 | 0.82 | NR1H4 (0.40) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2321282-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | claimed |
| WO-2010028981-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-18 | — | — | WO | claimed |