Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 18/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.44 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.41 |
| ▸ | FXR2 | P51116 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22348689 | 0.93 | NR1H4 (0.44) | NR1H4NR1I2CYP2C9CYP2C19 | |
| SCHEMBL22348553 | 0.85 | HSD11B1 (0.45) | NR1H4HSD11B1HSD11B2NR1I2CYP2C9 | |
| SCHEMBL22348612 | 0.85 | NR1H4 (0.44) | NR1H4HSD11B1HSD11B2 | |
| SCHEMBL22347940 | 0.84 | HSD11B1 (0.44) | NR1H4HSD11B1HSD11B2NR1I2CYP2C9 | |
| SCHEMBL22348556 | 0.84 | HSD11B1 (0.46) | NR1H4HSD11B1HSD11B2NR1I2CYP2C9 | |
| SCHEMBL22348714 | 0.84 | HSD11B1 (0.44) | NR1H4HSD11B1HSD11B2NR1I2CYP2C9 | |
| SCHEMBL22348552 | 0.83 | NR1H4 (0.37) | NR1H4 | |
| SCHEMBL22348706 | 0.83 | NR1H4 (0.43) | NR1H4HSD11B1HSD11B2NR1I2CYP2C9 | |
| SCHEMBL22348576 | 0.82 | HDAC1 (0.47) | NR1H4HSD11B1HSD11B2 | |
| SCHEMBL29458342 | 0.82 | NR1H4 (0.42) | 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-3924333-A1 | SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS | Bristol-Myers Squibb Company (US) | 2021-12-22 | — | — | EP | disclosed |
| WO-2020168149-A1 | SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-08-20 | — | — | WO | disclosed |