Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 12/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3801443 | 0.91 | NR1H4 (0.56) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3657577 | 0.90 | NR1H4 (0.45) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3803763 | 0.84 | NR1H4 (0.51) | NR1H4KCNH2CYP3A4DGAT1HSD11B1 | |
| SCHEMBL3654638 | 0.82 | NR1H4 (0.46) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3803820 | 0.81 | NR1H4 (0.54) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3657013 | 0.81 | NR1H4 (0.48) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3655202 | 0.80 | NR1H4 (0.43) | NR1H4KCNH2CYP3A4CYP2D6MEN1 | |
| SCHEMBL3800573 | 0.79 | NR1H4 (0.48) | NR1H4KCNH2DGAT1 | |
| SCHEMBL3806736 | 0.79 | NR1H4 (0.51) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3652700 | 0.77 | NR1H4 (0.43) | NR1H4KCNH2 |
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 |