Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 3/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.39 |
| ▸ | FBP1 | P09467 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GNRHR | P30968 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1577009 | 0.87 | PTGER4 (0.40) | PTGER4FBP1KDM4EALDH1A1NPSR1 | |
| SCHEMBL1577569 | 0.86 | ALOX5 (0.43) | GRM2PTGER4FBP1ALOX5BRD4 | |
| SCHEMBL1577603 | 0.84 | LMNA (0.39) | GRM2PTGER4FBP1KDM4ENPSR1 | |
| SCHEMBL1577199 | 0.82 | NPSR1 (0.40) | PTGER4FBP1KDM4EALDH1A1NPSR1 | |
| SCHEMBL1577478 | 0.82 | FBP1 (0.38) | PTGER4FBP1KDM4EALDH1A1NPSR1 | |
| SCHEMBL1482720 | 0.81 | NR1H4 (0.43) | GRM2PTGER4KDM4EALDH1A1NPSR1 | |
| SCHEMBL1577534 | 0.80 | PTGER4 (0.43) | PTGER4FBP1KDM4EALDH1A1 | |
| SCHEMBL1482899 | 0.79 | PRKACA (0.53) | GRM2KDM4EALDH1A1NPSR1HSD17B10 | |
| SCHEMBL1577077 | 0.79 | CNR1 (0.39) | PTGER4FBP1CNR2 | |
| SCHEMBL1577421 | 0.78 | ALOX5 (0.43) | PTGER4FBP1ALOX5BRD4CNR2 |
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 |