Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.38 |
| ▸ | METAP2 | P50579 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.36 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4036615 | 0.82 | ALDH1A1 (0.33) | EPHX1METAP2METAP1 | |
| SCHEMBL4036750 | 0.79 | METAP2 (0.36) | SLC6A3EPHX1SLC6A4METAP2SLC6A2 | |
| SCHEMBL5700726 | 0.70 | KEAP1 (0.49) | EPHX1GABBR2GABBR1FAAH | |
| SCHEMBL5707538 | 0.69 | GABBR2 (0.40) | EPHX1GABBR2GABBR1FAAH | |
| SCHEMBL4037071 | 0.67 | EPHX1 (0.46) | SLC6A3EPHX1METAP2GABBR2GABBR1 | |
| SCHEMBL4034684 | 0.67 | MAPT (0.38) | — | |
| SCHEMBL4044999 | 0.65 | MEN1 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10933667 | 0.63 | SLC6A3 (0.53) | SLC6A3EPHX1SLC6A4SLC6A2CYP1A1 | |
| SCHEMBL20495622 | 0.60 | SLC6A4 (0.46) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL29116795 | 0.59 | KEAP1 (0.56) | CYP3A4CYP2D6 |
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-2038259-A1 | BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-25 | — | — | EP | disclosed |
| WO-2008000643-A1 | BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-03 | — | — | WO | disclosed |