Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 7/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GHSR | Q92847 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL1577245 | 1.00 | SLC6A4 (0.41) | SLC6A4HTR6ALOX5PTGER1NR1H4 | |
| SCHEMBL1577164 | 0.99 | SLC6A4 (0.40) | SLC6A4HTR6ALOX5PTGER1NR1H4 | |
| SCHEMBL1577202 | 0.89 | ALOX5 (0.43) | SLC6A4ALOX5NR1H4HTR2AHTR2C | |
| SCHEMBL1577060 | 0.89 | PTGER1 (0.40) | SLC6A4HTR6PTGER1KCNH2 | |
| SCHEMBL1577251 | 0.88 | CRHR1 (0.41) | SLC6A4ALOX5NR1H4HTR2AHTR2C | |
| SCHEMBL1577424 | 0.87 | DHFR (0.40) | SLC6A4HTR6PTGER1KCNH2 | |
| SCHEMBL1482100 | 0.85 | NR1H4 (0.50) | SLC6A4HTR6ALOX5PTGER1NR1H4 | |
| SCHEMBL1482697 | 0.85 | NR1H4 (0.50) | SLC6A4HTR6ALOX5PTGER1NR1H4 | |
| SCHEMBL1577421 | 0.85 | ALOX5 (0.43) | SLC6A4ALOX5NR1H4HTR2AHTR2C | |
| SCHEMBL1483132 | 0.85 | NR1H4 (0.49) | SLC6A4HTR6ALOX5PTGER1NR1H4 |
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 |