Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.37 |
| ▸ | FBP1 | P09467 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1577421 | 0.88 | ALOX5 (0.43) | ALOX5NR1H4PTGER4FBP1HTR2A | |
| SCHEMBL1577608 | 0.88 | ALOX5 (0.42) | ALOX5NR1H4PTGER4FBP1HTR2A | |
| SCHEMBL1577428 | 0.87 | ALOX5 (0.41) | ALOX5NR1H4PTGER4FBP1HTR2A | |
| SCHEMBL1577098 | 0.86 | GRM2 (0.40) | ALOX5PTGER4GRM2FBP1BRD4 | |
| SCHEMBL1577202 | 0.85 | ALOX5 (0.43) | ALOX5NR1H4PTGER4HTR2AHTR2C | |
| SCHEMBL1482651 | 0.84 | NR1H4 (0.53) | ALOX5NR1H4BRD4CNR2KCNH2 | |
| SCHEMBL1577245 | 0.84 | SLC6A4 (0.41) | ALOX5NR1H4HTR2AHTR2CSLC6A4 | |
| SCHEMBL1577541 | 0.84 | SLC6A4 (0.41) | ALOX5NR1H4HTR2AHTR2CSLC6A4 | |
| SCHEMBL1577251 | 0.84 | CRHR1 (0.41) | ALOX5NR1H4PTGER4FBP1HTR2A | |
| SCHEMBL1577164 | 0.83 | SLC6A4 (0.40) | ALOX5NR1H4PTGER4FBP1HTR2A |
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 |