Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL1483188 | 0.86 | NR1H4 (0.51) | ALOX5NR1H4MAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL1577421 | 0.84 | ALOX5 (0.43) | ALOX5NR1H4CNR2FBP1PTGER4 | |
| SCHEMBL1577569 | 0.83 | ALOX5 (0.43) | ALOX5NR1H4CNR2FBP1PTGER4 | |
| SCHEMBL1577608 | 0.83 | ALOX5 (0.42) | ALOX5NR1H4CNR2FBP1PTGER4 | |
| SCHEMBL1577428 | 0.83 | ALOX5 (0.41) | ALOX5NR1H4CNR2FBP1PTGER4 | |
| SCHEMBL1577202 | 0.81 | ALOX5 (0.43) | ALOX5NR1H4SMN1; SMN2PTGER4MAPT | |
| SCHEMBL1577245 | 0.80 | SLC6A4 (0.41) | ALOX5NR1H4 | |
| SCHEMBL1577541 | 0.80 | SLC6A4 (0.41) | ALOX5NR1H4 | |
| SCHEMBL1577251 | 0.80 | CRHR1 (0.41) | ALOX5NR1H4FBP1SMN1; SMN2PTGER4 | |
| SCHEMBL1577164 | 0.79 | SLC6A4 (0.40) | ALOX5NR1H4FBP1PTGER4 |
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 |