Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.65 |
| ▸ | LIFR | P42702 | 2/20 | 0.54 |
| ▸ | PPARD | Q03181 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29143484 | 0.85 | NR1H4 (0.67) | NR1H4 | |
| SCHEMBL29143467 | 0.83 | NR1H4 (0.71) | NR1H4 | |
| SCHEMBL29143630 | 0.82 | NR1H4 (0.77) | NR1H4LIFR | |
| SCHEMBL30629739 | 0.79 | NR1H4 (1.00) | NR1H4LIFR | |
| SCHEMBL29143473 | 0.74 | NR1H4 (0.77) | NR1H4LIFRPPARD | |
| SCHEMBL29143477 | 0.74 | NR1H4 (0.70) | NR1H4LIFRPPARD | |
| SCHEMBL24425708 | 0.74 | NR1H4 (1.00) | NR1H4LIFRPPARD | |
| SCHEMBL21624448 | 0.73 | NR1H4 (0.69) | NR1H4LIFRPPARD | |
| SCHEMBL29143488 | 0.72 | NR1H4 (0.62) | NR1H4 | |
| SCHEMBL21624446 | 0.72 | NR1H4 (1.00) | NR1H4LIFRPPARD |
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 |