Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CRHR1 | P34998 | 4/20 | 0.41 |
| ▸ | CCR2 | P41597 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1577206 | 0.94 | CCR2 (0.41) | KMT2ACCR2 | |
| SCHEMBL1577048 | 0.85 | KMT2A (0.40) | KMT2APDE10ADRD4TP53ALDH1A1 | |
| SCHEMBL1577485 | 0.84 | KMT2A (0.46) | KMT2AMEN1TDP1ALDH1A1HTT | |
| SCHEMBL1482685 | 0.84 | KMT2A (0.48) | KMT2ACRHR1GFERPTGESTP53 | |
| SCHEMBL1577060 | 0.83 | PTGER1 (0.40) | KMT2APDE10ADRD4TP53 | |
| SCHEMBL1577555 | 0.82 | CRHR1 (0.44) | CRHR1TP53ALDH1A1 | |
| SCHEMBL1577251 | 0.81 | CRHR1 (0.41) | CRHR1 | |
| SCHEMBL1577202 | 0.80 | ALOX5 (0.43) | CRHR1 | |
| SCHEMBL1577408 | 0.79 | DHFR (0.41) | KMT2APDE10A | |
| SCHEMBL1577044 | 0.79 | CRHR1 (0.38) | CRHR1 |
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 |