Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 16/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL3657964 | 0.94 | NR1H4 (0.44) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL3657230 | 0.83 | NR1H4 (0.41) | NR1H4SMN1; SMN2DHODH | |
| SCHEMBL3801443 | 0.80 | NR1H4 (0.56) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1841564 | 0.80 | NR1H4 (0.40) | NR1H4KMT2ASMN1; SMN2 | |
| SCHEMBL197865 | 0.80 | NR1H4 (0.37) | NR1H4CYP2C9KCNH2 | |
| SCHEMBL3654638 | 0.80 | NR1H4 (0.46) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL3659323 | 0.79 | NR1H4 (0.57) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1841219 | 0.79 | NR1H4 (0.38) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1841709 | 0.78 | NR1H4 (0.38) | NR1H4CYP2C9CYP3A4CYP2D6CYP26A1 | |
| SCHEMBL1839973 | 0.78 | NR1H4 (0.38) | NR1H4CYP2C9CYP3A4CYP2D6 |
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-2225221-A2 | CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-09-08 | — | — | EP | claimed |
| WO-2009080555-A2 | CARBOXYL- OR HYDROXYL- SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | claimed |
| EP-2225221-A2 | CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009080555-A2 | CARBOXYL- OR HYDROXYL- SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | disclosed |