Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1839895 | 0.92 | NR1H4 (0.36) | NR1H4CYP2C9 | |
| SCHEMBL1839302 | 0.90 | NR1H4 (0.43) | NR1H4CYP2C9MAP4K4 | |
| SCHEMBL1842326 | 0.88 | PTGDR2 (0.34) | NR1H4CYP2C9MAP4K4 | |
| SCHEMBL1840289 | 0.88 | CYP2C9 (0.41) | NR1H4CYP2C9MAP4K4 | |
| SCHEMBL1839238 | 0.86 | NR1H4 (0.42) | NR1H4CYP2C9 | |
| SCHEMBL1839494 | 0.86 | NR1H4 (0.42) | NR1H4CYP2C9 | |
| SCHEMBL198480 | 0.85 | PPARA (0.36) | MAP4K4 | |
| SCHEMBL1840527 | 0.83 | ADRB3 (0.35) | — | |
| SCHEMBL1837672 | 0.82 | NR1H4 (0.40) | NR1H4CYP2C9 | |
| SCHEMBL1842541 | 0.82 | GABRA5 (0.38) | NR1H4 |
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-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 |
| EP-2321282-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010028981-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-18 | — | — | WO | disclosed |