Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4039874 | 1.00 | NR1H4 (0.48) | NR1H4CYP2C19CYP3A4IDO1FPR2 | |
| SCHEMBL4040912 | 0.97 | NR1H4 (0.49) | NR1H4CYP2C19CYP3A4IDO1EPHX1 | |
| SCHEMBL4041029 | 0.97 | NR1H4 (0.49) | NR1H4CYP2C19CYP3A4IDO1EPHX1 | |
| SCHEMBL4044540 | 0.92 | NR1H4 (0.44) | NR1H4CYP2C19CYP3A4EPHX1ALDH1A1 | |
| SCHEMBL4039101 | 0.92 | NR1H4 (0.44) | NR1H4CYP2C19CYP3A4EPHX1ALDH1A1 | |
| SCHEMBL4042732 | 0.92 | NR1H4 (0.44) | NR1H4CYP2C19CYP3A4EPHX1ALDH1A1 | |
| SCHEMBL4040480 | 0.92 | NR1H4 (0.44) | NR1H4CYP2C19CYP3A4EPHX1ALDH1A1 | |
| SCHEMBL4037198 | 0.90 | NR1H4 (0.42) | NR1H4CYP2C19CYP3A4IDO1FPR2 | |
| SCHEMBL4034388 | 0.88 | NR1H4 (0.51) | NR1H4CYP2C19EPHX1ALDH1A1NPC1 | |
| SCHEMBL4037898 | 0.88 | NR1H4 (0.51) | NR1H4CYP2C19EPHX1ALDH1A1NPC1 |
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-2038259-A1 | BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-25 | — | — | EP | disclosed |
| WO-2008000643-A1 | BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-03 | — | — | WO | disclosed |