Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | PTGES | O14684 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4037646 | 0.89 | EPHX2 (0.42) | EPHX2NPC1RAB9APTGESTSHR | |
| SCHEMBL4040656 | 0.89 | LMNA (0.45) | NPC1RAB9ACNR1TSHRSMN1; SMN2 | |
| SCHEMBL4044551 | 0.87 | CYP3A4 (0.42) | EPHX2NPC1RAB9ACNR1TSHR | |
| SCHEMBL4039953 | 0.85 | NPC1 (0.40) | NPC1RAB9ACNR1TSHRSMN1; SMN2 | |
| SCHEMBL4037528 | 0.83 | KMT2A (0.44) | NPC1RAB9ALMNAMEN1KMT2A | |
| SCHEMBL4040352 | 0.83 | KMT2A (0.44) | NPC1RAB9ALMNAMEN1KMT2A | |
| SCHEMBL4043896 | 0.83 | HTT (0.42) | EPHX2TSHRSMN1; SMN2MDM2LMNA | |
| SCHEMBL4042732 | 0.83 | NR1H4 (0.44) | NPC1RAB9ATSHRSMN1; SMN2MDM2 | |
| SCHEMBL4039101 | 0.83 | NR1H4 (0.44) | NPC1RAB9ATSHRSMN1; SMN2MDM2 | |
| SCHEMBL4040697 | 0.81 | NPC1 (0.44) | EPHX2NPC1RAB9ATSHRGAA |
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 |