Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 7/20 | 0.40 |
| ▸ | PYGL | P06737 | 3/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MDM4 | O15151 | 2/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.32 |
| ▸ | PTGFR | P43088 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2308591 | 0.90 | NR1H4 (0.43) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL2304490 | 0.89 | NR1H4 (0.44) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL2305595 | 0.88 | NR1H4 (0.49) | NR1H4PYGLCYP2C9KCNH2CYP3A4 | |
| SCHEMBL2309699 | 0.86 | NR1H4 (0.39) | NR1H4PYGLCYP2C9KCNH2CYP3A4 | |
| SCHEMBL2308785 | 0.85 | NR1H4 (0.40) | NR1H4EPHX2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL2304285 | 0.84 | NR1H4 (0.49) | NR1H4PYGLCYP2C9KCNH2CYP3A4 | |
| SCHEMBL2305514 | 0.84 | NR1H4 (0.49) | NR1H4PYGLCYP2C9KCNH2CYP3A4 | |
| SCHEMBL2306973 | 0.83 | NR1H4 (0.55) | NR1H4PYGLCYP2C9KCNH2CYP3A4 | |
| SCHEMBL2307699 | 0.83 | NR1H4 (0.55) | NR1H4PYGLCYP2C9KCNH2CYP3A4 | |
| SCHEMBL2310551 | 0.83 | NR1H4 (0.41) | NR1H4EPHX2NPC1RAB9A |
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-2350022-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-08-03 | — | — | EP | claimed |
| WO-2010043513-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-22 | — | — | WO | claimed |
| EP-2350022-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010043513-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-22 | — | — | WO | disclosed |