Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 12/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3658122 | 0.90 | NR1H4 (0.40) | NR1H4CYP2C9CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL3658772 | 0.87 | NR1H4 (0.44) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3655708 | 0.86 | NR1H4 (0.59) | NR1H4CYP2C9CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL3660110 | 0.85 | NR1H4 (0.43) | NR1H4CYP2C9CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL3656457 | 0.84 | NR1H4 (0.55) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3649203 | 0.84 | NR1H4 (0.42) | NR1H4CYP2C9CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL3651277 | 0.84 | NR1H4 (0.57) | NR1H4CYP2C9CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL3649049 | 0.83 | NR1H4 (0.51) | NR1H4CYP2C9CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL3653472 | 0.82 | NR1H4 (0.45) | NR1H4CYP2C9CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL3659173 | 0.82 | CYP3A4 (0.43) | NR1H4CYP2C9CYP3A4CYP2D6ALDH1A1 |
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-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 |