Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | YAP1 | P46937 | 4/20 | 0.42 |
| ▸ | TEAD4 | Q15561 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2912667 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL2913142 | 0.94 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL2912870 | 0.94 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL2913502 | 0.86 | YAP1 (0.44) | ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL2914662 | 0.85 | MAPT (0.44) | ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL2915685 | 0.85 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2TSHREPHX2 | |
| SCHEMBL2912649 | 0.83 | KMT2A (0.39) | ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL2908003 | 0.83 | KMT2A (0.39) | ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL2906333 | 0.81 | YAP1 (0.43) | ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19 | |
| SCHEMBL2909713 | 0.81 | CNR1 (0.39) | CYP3A4NPC1RAB9ASMN1; SMN2TSHR |
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 |