Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.51 |
| ▸ | FXR2 | P51116 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL22347401 | 1.00 | NR1H4 (0.58) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL25992835 | 0.93 | NR1H4 (0.55) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22354281 | 0.87 | NR1H4 (0.44) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22347421 | 0.84 | NR1H4 (0.47) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL29531894 | 0.83 | NR1H4 (0.67) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22354264 | 0.83 | NR1H4 (0.67) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22354352 | 0.82 | NR1H4 (0.63) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22353667 | 0.81 | NR1H4 (0.64) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL29531898 | 0.81 | NR1H4 (0.64) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22347253 | 0.80 | NR1H4 (0.65) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 |
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-3924336-A1 | SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | Bristol-Myers Squibb Company (US) | 2021-12-22 | — | — | EP | disclosed |
| WO-2020168143-A1 | SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-08-20 | — | — | WO | disclosed |