Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 16/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL1577555 | 0.82 | CRHR1 (0.44) | CRHR1ADORA2B | |
| SCHEMBL1577515 | 0.79 | KMT2A (0.43) | CRHR1 | |
| SCHEMBL1577411 | 0.78 | CRHR1 (0.42) | CRHR1HSP90AA1HSP90AB1CNR1 | |
| SCHEMBL1577206 | 0.77 | CCR2 (0.41) | — | |
| SCHEMBL1577251 | 0.76 | CRHR1 (0.41) | CRHR1HSP90AA1HSP90AB1CNR1 | |
| SCHEMBL1577202 | 0.76 | ALOX5 (0.43) | CRHR1HSP90AA1HSP90AB1CNR1 | |
| SCHEMBL1577493 | 0.74 | CRHR1 (0.40) | CRHR1CNR1 | |
| SCHEMBL1577420 | 0.73 | HTR2C (0.42) | CRHR1 | |
| SCHEMBL22078314 | 0.70 | HSP90AA1 (0.51) | CRHR1HSP90AA1HSP90AB1ADORA2BCNR1 | |
| SCHEMBL1482716 | 0.70 | CRHR1 (0.39) | CRHR1HSP90AA1HSP90AB1ADORA2BCNR1 |
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-2483247-A1 | NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011039130-A1 | NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-07 | — | — | WO | disclosed |