Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4952939 | 0.94 | NR1H4 (0.51) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4950616 | 0.91 | NR1H4 (0.63) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL2114714 | 0.90 | NR1H4 (0.64) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4946182 | 0.87 | NR1H4 (0.53) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4949192 | 0.85 | NR1H4 (0.62) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4950788 | 0.85 | NR1H4 (0.61) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL2114900 | 0.83 | NR1H4 (0.64) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4952917 | 0.82 | NR1H4 (0.53) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4950235 | 0.82 | NR1H4 (0.61) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4950828 | 0.81 | NR1H4 (0.64) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1962838-A2 | FARNESOID X RECEPTOR AGONISTS | Smithkline Beecham Corporation (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007076260-A2 | FARNESOID X RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-07-05 | — | — | WO | disclosed |