Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 1.00 |
| ▸ | FABP1 | P07148 | 8/20 | 0.77 |
| ▸ | FABP4 | P15090 | 2/20 | 0.77 |
| ▸ | HSD17B13 | Q7Z5P4 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL29143466 | 0.92 | NR1H4 (1.00) | NR1H4FABP1FABP4HSD17B13 | |
| SCHEMBL30629723 | 0.92 | NR1H4 (1.00) | NR1H4FABP1FABP4HSD17B13 | |
| SCHEMBL29143469 | 0.90 | NR1H4 (1.00) | NR1H4FABP1FABP4HSD17B13 | |
| SCHEMBL30629719 | 0.87 | NR1H4 (0.86) | NR1H4FABP1FABP4HSD17B13 | |
| SCHEMBL30629732 | 0.87 | NR1H4 (1.00) | NR1H4FABP1FABP4HSD17B13 | |
| SCHEMBL29143470 | 0.86 | NR1H4 (0.79) | NR1H4FABP1FABP4 | |
| SCHEMBL29143632 | 0.85 | NR1H4 (1.00) | NR1H4FABP1FABP4HSD17B13 | |
| SCHEMBL30629725 | 0.85 | NR1H4 (1.00) | NR1H4FABP1FABP4HSD17B13 | |
| SCHEMBL29143474 | 0.84 | NR1H4 (0.76) | NR1H4FABP1FABP4HSD17B13 | |
| SCHEMBL30629722 | 0.84 | NR1H4 (1.00) | NR1H4FABP1FABP4HSD17B13 |
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 |