Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.45 |
| ▸ | FXR2 | P51116 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22348192 | 0.86 | NR1H4 (0.68) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22352724 | 0.81 | NR1H4 (0.61) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL24452395 | 0.79 | NR1H4 (0.47) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22348341 | 0.77 | NR1H4 (0.77) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL24451778 | 0.77 | NR1H4 (0.46) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22348271 | 0.76 | NR1H4 (0.54) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22348226 | 0.74 | NR1H4 (0.63) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL22354204 | 0.74 | NR1H4 (0.41) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL22354327 | 0.73 | NR1H4 (0.46) | NR1H4NR1I2CYP2C9CYP2C19ABCB11 | |
| SCHEMBL24259506 | 0.72 | NR1H4 (0.90) | NR1H4NR1I2CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020168148-A1 | SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-08-20 | — | — | WO | disclosed |