Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4558622 | 0.92 | NR1H4 (0.69) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL2003188 | 0.89 | NR1H4 (0.60) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL1998425 | 0.84 | NR1H4 (0.61) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL2001833 | 0.83 | NR1H4 (0.59) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL2005940 | 0.80 | NR1H4 (0.72) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL1999028 | 0.80 | NR1H4 (0.73) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL4330195 | 0.79 | NR1H4 (0.48) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL1998681 | 0.77 | NR1H4 (0.59) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL2005313 | 0.77 | NR1H4 (0.85) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL2000553 | 0.77 | NR1H4 (0.77) | NR1H4CYP1A2CYP2C9 |
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-2079307-A2 | FARNESOID X RECEPTOR AGONISTS | SmithKline Beecham Corporation (US) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008051942-A2 | FARNESOID X RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-05-02 | — | — | WO | disclosed |