Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 19/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.57 |
| ▸ | FXR2 | P51116 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.57 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22347471 | 0.88 | NR1H4 (0.49) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22347181 | 0.84 | NR1H4 (0.62) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22348077 | 0.83 | NR1H4 (0.48) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22347441 | 0.74 | NR1H4 (1.00) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22347590 | 0.74 | NR1H4 (1.00) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL29531889 | 0.73 | NR1H4 (0.70) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22347288 | 0.73 | NR1H4 (1.00) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22347286 | 0.73 | NR1H4 (1.00) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL25992054 | 0.73 | NR1H4 (1.00) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22347284 | 0.72 | NR1H4 (0.39) | NR1H4MGLL |
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 |