Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 15/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1842341 | 0.92 | NR1H4 (0.39) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1839064 | 0.92 | NR1H4 (0.39) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1840349 | 0.92 | NR1H4 (0.40) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1836899 | 0.91 | NR1H4 (0.49) | NR1H4CYP2C9KCNH2S1PR1PTGER1 | |
| SCHEMBL1839136 | 0.90 | NR1H4 (0.40) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1839322 | 0.90 | NR1H4 (0.37) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1839107 | 0.90 | NR1H4 (0.37) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1840984 | 0.88 | NR1H4 (0.40) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL198628 | 0.87 | NR1H4 (0.38) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1842591 | 0.86 | NR1H4 (0.34) | 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 |