Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.66 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | VDR | P11473 | 2/20 | 0.62 |
| ▸ | LIFR | P42702 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL2116096 | 0.88 | NR1H4 (0.85) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL2112374 | 0.84 | NR1H4 (0.72) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL2082063 | 0.82 | NR1H4 (0.68) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL2001397 | 0.81 | NR1H4 (1.00) | NR1H4CYP1A2CYP2C9VDR | |
| SCHEMBL2085609 | 0.81 | NR1H4 (0.67) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL2084444 | 0.81 | NR1H4 (0.65) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL1179491 | 0.80 | NR1H4 (1.00) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL16456812 | 0.80 | NR1H4 (0.82) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL2083720 | 0.80 | NR1H4 (0.73) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL1179324 | 0.80 | NR1H4 (0.81) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1962838-B1 | FARNESOID X RECEPTOR AGONISTS | GLAXOSMITHKLINE LLC (US) | 2011-09-28 | — | — | EP | disclosed |