Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 12/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1839136 | 0.93 | NR1H4 (0.40) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1838605 | 0.91 | ALOX15 (0.37) | NR1H4BCHEACHEL3MBTL1SMN1; SMN2 | |
| SCHEMBL1839527 | 0.91 | NR1H4 (0.40) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1840422 | 0.90 | MRGPRX4 (0.42) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1841925 | 0.88 | NR1H4 (0.47) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL198628 | 0.87 | NR1H4 (0.38) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1840000 | 0.87 | NR1H4 (0.41) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1839064 | 0.85 | NR1H4 (0.39) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1842341 | 0.85 | NR1H4 (0.39) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1838564 | 0.85 | SMN1; SMN2 (0.38) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 |
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-2321282-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | claimed |
| WO-2010028981-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-18 | — | — | WO | claimed |
| EP-2321282-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010028981-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-18 | — | — | WO | disclosed |