Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.41 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4041054 | 0.88 | MEN1 (0.44) | NPC1RAB9AHPGDTSHRKMT2A | |
| SCHEMBL4045207 | 0.88 | NPC1 (0.46) | NPC1RAB9AHPGDTAS1R3TAS1R1 | |
| SCHEMBL4037171 | 0.84 | NPC1 (0.47) | NPC1RAB9AHPGDTSHRLMNA | |
| SCHEMBL4042729 | 0.84 | HPGD (0.44) | NPC1RAB9AHPGDTSHRLMNA | |
| SCHEMBL4037704 | 0.83 | TSHR (0.41) | NPC1RAB9AHPGDTSHRLMNA | |
| SCHEMBL4039067 | 0.82 | NPC1 (0.44) | NPC1RAB9AHPGDTSHRKMT2A | |
| SCHEMBL4036690 | 0.81 | TSHR (0.43) | NPC1RAB9AHPGDTSHRLMNA | |
| SCHEMBL4039455 | 0.81 | KMT2A (0.48) | NPC1RAB9AHPGDTSHRLMNA | |
| SCHEMBL4044511 | 0.81 | EPHX2 (0.47) | NPC1RAB9ATSHRLMNAKMT2A | |
| SCHEMBL4044962 | 0.81 | KMT2A (0.49) | HPGDTSHRKMT2AMEN1HTT |
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 |