Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 14/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | PYGL | P06737 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 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 | |
|---|---|---|---|---|
| SCHEMBL3650975 | 0.93 | NR1H4 (0.54) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3655114 | 0.92 | NR1H4 (0.55) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3657962 | 0.91 | NR1H4 (0.49) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3659124 | 0.91 | NR1H4 (0.40) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3658031 | 0.89 | NR1H4 (0.47) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3656457 | 0.86 | NR1H4 (0.55) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3653242 | 0.84 | NR1H4 (0.45) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3659323 | 0.83 | NR1H4 (0.57) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3657946 | 0.83 | NR1H4 (0.45) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3652291 | 0.82 | NR1H4 (0.57) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 |
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 |