Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL14215904 | 0.92 | NR1H4 (0.48) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215740 | 0.86 | NR1H4 (0.56) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215902 | 0.84 | NR1H4 (0.50) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215910 | 0.82 | NR1H4 (0.60) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215703 | 0.82 | NR1H4 (0.62) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215705 | 0.81 | NR1H4 (0.59) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215880 | 0.80 | NR1H4 (0.58) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215908 | 0.80 | NR1H4 (0.60) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215782 | 0.80 | NR1H4 (0.61) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215909 | 0.79 | NR1H4 (0.52) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008051942-A2 | FARNESOID X RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-05-02 | — | — | WO | disclosed |