Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 19/20 | 0.76 |
| ▸ | PPARD | Q03181 | 7/20 | 0.54 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29143491 | 0.92 | NR1H4 (0.85) | NR1H4PPARDHSD17B13 | |
| SCHEMBL29143447 | 0.92 | NR1H4 (0.83) | NR1H4PPARDHSD17B13 | |
| SCHEMBL29143449 | 0.89 | NR1H4 (0.74) | NR1H4PPARD | |
| SCHEMBL29143455 | 0.86 | NR1H4 (0.78) | NR1H4HSD17B13 | |
| SCHEMBL29143450 | 0.84 | NR1H4 (0.69) | NR1H4PPARDHSD17B13 | |
| SCHEMBL29143477 | 0.82 | NR1H4 (0.70) | NR1H4PPARD | |
| SCHEMBL29143446 | 0.82 | NR1H4 (0.82) | NR1H4PPARD | |
| SCHEMBL29143463 | 0.79 | NR1H4 (0.84) | NR1H4HSD17B13 | |
| SCHEMBL29143451 | 0.78 | NR1H4 (0.87) | NR1H4HSD17B13 | |
| SCHEMBL29143464 | 0.77 | NR1H4 (0.85) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116925059-A | Novel isoxazole FXR agonist, preparation method thereof and application thereof as medicine | 广东药科大学 | 2023-10-24 | — | — | CN | claimed |
| CN-116925059-A | Novel isoxazole FXR agonist, preparation method thereof and application thereof as medicine | 广东药科大学 | 2023-10-24 | — | — | CN | disclosed |