Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 6/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29531677 | 0.88 | NR1H4 (0.46) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL22347830 | 0.86 | NR1H4 (0.49) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL22347755 | 0.85 | NR1H4 (0.48) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL22347846 | 0.82 | NR1H4 (0.42) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL22347702 | 0.81 | NR1H4 (0.42) | NR1H4 | |
| SCHEMBL29531764 | 0.80 | NR1H4 (0.47) | NR1H4 | |
| SCHEMBL22347537 | 0.80 | NR1H4 (0.47) | NR1H4 | |
| SCHEMBL24259432 | 0.78 | NR1H4 (0.46) | NR1H4 | |
| SCHEMBL22354390 | 0.78 | NR1H4 (0.45) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL22354379 | 0.78 | NR1H4 (0.49) | NR1H4 |
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 |