Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 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 | |
|---|---|---|---|---|
| SCHEMBL2910028 | 0.85 | SMN1; SMN2 (0.45) | TP53SMN1; SMN2TSHRMEN1KMT2A | |
| SCHEMBL2915018 | 0.80 | SMN1; SMN2 (0.41) | TP53SMN1; SMN2TSHRMEN1KMT2A | |
| SCHEMBL2912642 | 0.77 | SMN1; SMN2 (0.43) | SMN1; SMN2TSHRMEN1KMT2ACYP3A4 | |
| SCHEMBL2913502 | 0.77 | YAP1 (0.44) | TP53SMN1; SMN2MAPTTSHRMEN1 | |
| SCHEMBL2305802 | 0.76 | TSHR (0.46) | SMN1; SMN2MAPTTSHRMEN1KMT2A | |
| SCHEMBL2914662 | 0.76 | MAPT (0.44) | TP53SMN1; SMN2MAPTTSHRMEN1 | |
| SCHEMBL2914472 | 0.75 | MEN1 (0.36) | SMN1; SMN2TSHRMEN1KMT2ACYP3A4 | |
| SCHEMBL2913162 | 0.74 | KMT2A (0.42) | SMN1; SMN2TSHRMEN1KMT2ACYP3A4 | |
| SCHEMBL2307838 | 0.73 | NR1H4 (0.41) | TP53SMN1; SMN2MAPTTSHRCYP3A4 | |
| SCHEMBL2914533 | 0.73 | SMN1; SMN2 (0.39) | SMN1; SMN2TSHRMEN1KMT2ARAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2222645-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-09-01 | — | — | EP | claimed |
| WO-2009062874-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-05-22 | — | — | WO | claimed |
| EP-2222645-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009062874-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-05-22 | — | — | WO | disclosed |