Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | PPARA | Q07869 | 4/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 9/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | FBP1 | P09467 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3660110 | 0.90 | NR1H4 (0.43) | CYP3A4PPARACYP1A2NR1H4CYP2C9 | |
| SCHEMBL3658122 | 0.83 | NR1H4 (0.40) | CYP3A4NR1H4CYP2C9CYP2D6ALDH1A1 | |
| SCHEMBL3659255 | 0.83 | NR1H4 (0.39) | CYP3A4TSHRNR1H4CYP2C9CYP2D6 | |
| SCHEMBL200871 | 0.83 | PPARA (0.42) | CYP3A4PPARAABCB11CYP1A2TSHR | |
| SCHEMBL3649203 | 0.83 | NR1H4 (0.42) | CYP3A4NR1H4CYP2C9CYP2D6ALDH1A1 | |
| SCHEMBL1842335 | 0.82 | PPARA (0.47) | CYP3A4PPARAABCB11CYP1A2TSHR | |
| SCHEMBL3658130 | 0.82 | NR1H4 (0.44) | CYP3A4NR1H4CYP2C9CYP2D6ALDH1A1 | |
| SCHEMBL3658772 | 0.82 | NR1H4 (0.44) | CYP3A4NR1H4CYP2C9CYP2D6KCNH2 | |
| SCHEMBL3659413 | 0.81 | NR1H4 (0.39) | CYP3A4NR1H4CYP2C9CYP2D6ALDH1A1 | |
| SCHEMBL1839730 | 0.81 | PPARA (0.41) | CYP3A4PPARAABCB11CYP1A2TSHR |
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-2225221-A2 | CARBOXYL- OR HYDROXYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009080555-A2 | CARBOXYL- OR HYDROXYL- SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | disclosed |