Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.30 |
| ▸ | ATF4 | P18848 | 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 | |
|---|---|---|---|---|
| SCHEMBL1839302 | 0.97 | NR1H4 (0.43) | CYP2C9NR1H4MAP4K4PPARGPPARA | |
| SCHEMBL1842633 | 0.90 | CYP2C9 (0.35) | CYP2C9NR1H4HTR2AALDH1A1THRB | |
| SCHEMBL1840686 | 0.90 | CYP2C9 (0.37) | CYP2C9NR1H4HTR2AALDH1A1THRB | |
| SCHEMBL1839779 | 0.88 | NR1H4 (0.41) | CYP2C9NR1H4MAP4K4 | |
| SCHEMBL1841448 | 0.87 | PTGDR2 (0.38) | MAP4K4ATF4 | |
| SCHEMBL198628 | 0.87 | NR1H4 (0.38) | CYP2C9NR1H4 | |
| SCHEMBL1840672 | 0.84 | SMN1; SMN2 (0.40) | MAP4K4PPARGPPARAHTR2AALDH1A1 | |
| SCHEMBL1840368 | 0.84 | NR1H4 (0.33) | CYP2C9NR1H4LMNATP53 | |
| SCHEMBL198388 | 0.83 | PPARA (0.42) | CYP2C9MAP4K4PPARGPPARAALDH1A1 | |
| SCHEMBL1842508 | 0.83 | GLA (0.43) | ALDH1A1LMNATP53ATF4 |
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 |