Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 7/20 | 0.39 |
| ▸ | NPC1 | O15118 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | PYGL | P06737 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2907592 | 0.84 | NPC1 (0.42) | CNR1RAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL2915021 | 0.82 | KCNH2 (0.44) | RAB9ANPC1SMN1; SMN2TSHRCYP3A4 | |
| SCHEMBL2913040 | 0.82 | TSHR (0.44) | RAB9ANPC1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL2912425 | 0.82 | TSHR (0.40) | CNR1RAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL3651303 | 0.79 | CYP3A4 (0.38) | CNR1RAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL4038088 | 0.78 | RAB9A (0.44) | CNR1RAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL4038304 | 0.78 | RAB9A (0.44) | CNR1RAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL2915028 | 0.78 | KMT2A (0.43) | RAB9ANPC1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL2909615 | 0.77 | C3AR1 (0.43) | SMN1; SMN2TSHRCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2913162 | 0.77 | KMT2A (0.42) | RAB9ANPC1SMN1; SMN2KMT2AMEN1 |
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-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 |