Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 5/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL4359021 | 0.83 | POLB (0.39) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL4372988 | 0.79 | NPC1 (0.37) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL4365264 | 0.77 | GHSR (0.38) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL4365190 | 0.76 | ALDH1A1 (0.37) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL4369197 | 0.74 | NPC1 (0.37) | ALDH1A1KDM4EMEN1NPC1MITF | |
| SCHEMBL4044809 | 0.70 | NPC1 (0.46) | ALDH1A1KDM4EMEN1NPC1RAB9A | |
| SCHEMBL4041108 | 0.69 | NPC1 (0.46) | MEN1NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL4044499 | 0.68 | CNR1 (0.42) | MEN1NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL4039445 | 0.68 | CNR1 (0.42) | MEN1NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL4039455 | 0.68 | KMT2A (0.48) | ALDH1A1KDM4EMEN1NPC1RAB9A |
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 |