Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 13/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.31 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.30 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1842591 | 0.92 | NR1H4 (0.34) | NR1H4CYP2C9TP53LMNAMAPT | |
| SCHEMBL1838591 | 0.90 | LMNA (0.32) | NR1H4CYP2C9TP53LMNAMAPT | |
| SCHEMBL198628 | 0.89 | NR1H4 (0.38) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL1841448 | 0.87 | PTGDR2 (0.38) | MAPTPTGDR2 | |
| SCHEMBL1839001 | 0.87 | NR4A2 (0.42) | NR1H4 | |
| SCHEMBL1837672 | 0.86 | NR1H4 (0.40) | NR1H4CYP2C9CYP3A4CYP2D6KCNH2 | |
| SCHEMBL1839064 | 0.85 | NR1H4 (0.39) | NR1H4CYP2C9TP53LMNAMAPT | |
| SCHEMBL1842341 | 0.85 | NR1H4 (0.39) | NR1H4CYP2C9TP53LMNAMAPT | |
| SCHEMBL1839025 | 0.85 | LMNA (0.32) | NR1H4CYP2C9TP53LMNAMAPT | |
| SCHEMBL1839302 | 0.84 | NR1H4 (0.43) | NR1H4CYP2C9TP53LMNAMAPT |
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 |