Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 18/20 | 0.55 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.37 |
| ▸ | FXR2 | P51116 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19202542 | 0.90 | NR1H4 (0.45) | NR1H4HSD17B13MRGPRX4 | |
| SCHEMBL19620264 | 0.90 | NR1H4 (0.46) | NR1H4HSD17B13 | |
| SCHEMBL24092280 | 0.88 | NR1H4 (0.44) | NR1H4HSD17B13 | |
| SCHEMBL19620271 | 0.88 | NR1H4 (0.43) | NR1H4HSD17B13MRGPRX4 | |
| SCHEMBL19620275 | 0.88 | NR1H4 (0.43) | NR1H4HSD17B13 | |
| SCHEMBL19620278 | 0.87 | NR1H4 (0.42) | NR1H4HSD17B13MRGPRX4 | |
| SCHEMBL19202445 | 0.86 | NR1H4 (0.48) | NR1H4HSD17B13CYP3A4 | |
| SCHEMBL21715622 | 0.84 | NR1H4 (0.41) | NR1H4 | |
| SCHEMBL21715610 | 0.84 | NR1H4 (0.40) | NR1H4 | |
| SCHEMBL19620257 | 0.83 | NR1H4 (0.62) | NR1H4HSD17B13 |
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-3246070-A1 | NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING AZOLES | Gilead Sciences, Inc. (US) | 2017-11-22 | — | — | EP | disclosed |