Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.32 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | LDLR | P01130 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4041894 | 0.82 | SLC6A3 (0.39) | EPHX1METAP2METAP1 | |
| SCHEMBL4036750 | 0.73 | METAP2 (0.36) | ALDH1A1EPHX1METAP2METAP1KDM4E | |
| SCHEMBL4041915 | 0.66 | SMN1; SMN2 (0.42) | ALDH1A1NPC1RAB9AEPHX1HPGD | |
| SCHEMBL9257145 | 0.62 | TSHR (0.41) | ALDH1A1NPC1RAB9AHPGDHSD17B10 | |
| SCHEMBL29116795 | 0.59 | KEAP1 (0.56) | CHRM3CHRM2KIF11OPRM1NFKB1 | |
| SCHEMBL9260114 | 0.59 | TSHR (0.41) | ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E | |
| SCHEMBL9870938 | 0.58 | HDAC1 (0.35) | ALDH1A1NPC1RAB9AHPGDLDLR | |
| SCHEMBL4287108 | 0.58 | EPHX2 (0.42) | ALDH1A1NPC1RAB9AEPHX1HPGD | |
| SCHEMBL16499616 | 0.58 | DAO (0.45) | LDLR | |
| SCHEMBL14041457 | 0.58 | PRSS1 (0.36) | ALDH1A1NPC1RAB9AEPHX1OPRM1 |
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 |