Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2915021 | 0.91 | KCNH2 (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9ACYP2C9 | |
| SCHEMBL4036796 | 0.84 | NPC1 (0.41) | ALDH1A1CNR1CNR2SMN1; SMN2NPC1 | |
| SCHEMBL4036972 | 0.84 | NPC1 (0.41) | ALDH1A1CNR1CNR2SMN1; SMN2NPC1 | |
| SCHEMBL2913040 | 0.81 | TSHR (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9ACYP3A4 | |
| SCHEMBL2907592 | 0.81 | NPC1 (0.42) | CNR1CNR2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2912425 | 0.81 | TSHR (0.40) | ALDH1A1CNR1CNR2SMN1; SMN2NPC1 | |
| SCHEMBL4035519 | 0.79 | NR1H4 (0.42) | ALDH1A1CNR1CNR2SMN1; SMN2NPC1 | |
| SCHEMBL3654041 | 0.79 | EPHX1 (0.43) | NPC1RAB9ACYP2C9CYP3A4KCNH2 | |
| SCHEMBL4035395 | 0.79 | NR1H4 (0.42) | ALDH1A1CNR1CNR2SMN1; SMN2NPC1 | |
| SCHEMBL3651151 | 0.79 | NPC1 (0.42) | ALDH1A1NPC1RAB9ACYP2C9CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2222645-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-09-01 | — | — | EP | claimed |
| WO-2009062874-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-05-22 | — | — | WO | claimed |
| EP-2222645-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009062874-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-05-22 | — | — | WO | disclosed |