Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 6/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | FBP1 | P09467 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | BCL9 | O00512 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
| ▸ | MDM4 | O15151 | 2/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL1842335 | 0.93 | PPARA (0.47) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL1840762 | 0.91 | PPARA (0.40) | PPARACYP1A2CYP3A4PPARGCNR1 | |
| SCHEMBL200871 | 0.90 | PPARA (0.42) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL198730 | 0.88 | PPARA (0.41) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL1840370 | 0.87 | ABCB11 (0.37) | PPARAABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL1838536 | 0.86 | SMN1; SMN2 (0.38) | LMNAMDM4MDM2TP53HPGD | |
| SCHEMBL198388 | 0.84 | PPARA (0.42) | PPARACYP1A2CYP3A4TSHRPPARG | |
| SCHEMBL1837083 | 0.82 | GAA (0.39) | LMNATP53SMN1; SMN2ALDH1A1FAAH | |
| SCHEMBL1839001 | 0.82 | NR4A2 (0.42) | PPARGHPGDSMN1; SMN2RAB9A | |
| SCHEMBL1843200 | 0.81 | PPARA (0.37) | PPARACYP1A2CYP3A4PPARGBCL9 |
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 2 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 | disclosed |
| WO-2010028981-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-18 | — | — | WO | disclosed |