Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.85 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL25992677 | 0.94 | NR1H4 (0.82) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL22347734 | 0.94 | NR1H4 (0.84) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL29532311 | 0.94 | NR1H4 (0.84) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL24259450 | 0.92 | NR1H4 (1.00) | NR1H4 | |
| SCHEMBL29531818 | 0.90 | NR1H4 (1.00) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL22347473 | 0.88 | NR1H4 (1.00) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL24259259 | 0.87 | NR1H4 (0.84) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL29531657 | 0.87 | NR1H4 (0.84) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL22348239 | 0.85 | NR1H4 (0.75) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL22347724 | 0.85 | NR1H4 (1.00) | 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 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 |