Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4036972 | 0.93 | NPC1 (0.41) | RAB9AEPHX1ALDH1A1CYP2C9NPC1 | |
| SCHEMBL4036796 | 0.93 | NPC1 (0.41) | RAB9AEPHX1ALDH1A1CYP2C9NPC1 | |
| SCHEMBL4044666 | 0.92 | MDM2 (0.42) | RAB9AEPHX1ALDH1A1CYP2C9NPC1 | |
| SCHEMBL4040844 | 0.91 | NR1H4 (0.47) | RAB9AEPHX1ALDH1A1CYP2C9NPC1 | |
| SCHEMBL4035029 | 0.91 | NR1H4 (0.47) | RAB9AEPHX1ALDH1A1CYP2C9NPC1 | |
| SCHEMBL4042732 | 0.91 | NR1H4 (0.44) | RAB9AEPHX1ALDH1A1CYP2C9NPC1 | |
| SCHEMBL4039101 | 0.91 | NR1H4 (0.44) | RAB9AEPHX1ALDH1A1CYP2C9NPC1 | |
| SCHEMBL4045000 | 0.89 | NR1H4 (0.48) | RAB9AEPHX1ALDH1A1NPC1CYP2C19 | |
| SCHEMBL4037444 | 0.89 | NR1H4 (0.48) | RAB9AEPHX1ALDH1A1NPC1CYP2C19 | |
| SCHEMBL4038480 | 0.89 | NR1H4 (0.48) | RAB9AEPHX1ALDH1A1NPC1CYP2C19 |
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 |