Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C3AR1 | Q16581 | 8/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL2913040 | 0.88 | TSHR (0.44) | C3AR1TSHRALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL2907592 | 0.84 | NPC1 (0.42) | TSHRCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2915021 | 0.82 | KCNH2 (0.44) | TSHRALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2912425 | 0.82 | TSHR (0.40) | C3AR1TSHRALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL2915028 | 0.82 | KMT2A (0.43) | C3AR1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL2906901 | 0.77 | CNR1 (0.40) | TSHRALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4036707 | 0.77 | C3AR1 (0.41) | C3AR1ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2910028 | 0.77 | SMN1; SMN2 (0.45) | C3AR1TSHRALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL2306977 | 0.75 | NR1H4 (0.43) | C3AR1CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL2912405 | 0.74 | ALDH1A1 (0.40) | TSHRALDH1A1CYP3A4CYP2D6CYP2C9 |
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 |