Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14215896 | 0.97 | NR1H4 (0.51) | NR1H4CYP1A2CYP2C9HSD17B13 | |
| SCHEMBL14215800 | 0.97 | NR1H4 (0.51) | NR1H4CYP1A2CYP2C9HSD17B13 | |
| SCHEMBL14215805 | 0.93 | NR1H4 (0.45) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215695 | 0.91 | NR1H4 (0.45) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215776 | 0.90 | NR1H4 (0.43) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215741 | 0.89 | NR1H4 (0.51) | NR1H4CYP1A2CYP2C9HSD17B13 | |
| SCHEMBL14215690 | 0.88 | NR1H4 (0.44) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215883 | 0.85 | NR1H4 (0.38) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215740 | 0.84 | NR1H4 (0.56) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215696 | 0.82 | NR1H4 (0.44) | 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 |