Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 12/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PYGL | P06737 | 2/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3655114 | 0.92 | NR1H4 (0.55) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3654362 | 0.91 | NR1H4 (0.49) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3660378 | 0.90 | RAB9A (0.41) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3657604 | 0.89 | NR1H4 (0.56) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3656457 | 0.85 | NR1H4 (0.55) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3650975 | 0.84 | NR1H4 (0.54) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3659323 | 0.83 | NR1H4 (0.57) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3657946 | 0.82 | NR1H4 (0.45) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3659124 | 0.82 | NR1H4 (0.40) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL3654172 | 0.81 | 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 |