Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.89 |
| ▸ | FXR2 | P51116 | 1/20 | 0.77 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL17087847 | 0.94 | NR1H4 (1.00) | NR1H4FXR2HSD17B13 | |
| SCHEMBL12168956 | 0.94 | NR1H4 (1.00) | NR1H4FXR2HSD17B13 | |
| SCHEMBL29880955 | 0.94 | NR1H4 (1.00) | NR1H4FXR2HSD17B13 | |
| SCHEMBL12879039 | 0.94 | NR1H4 (1.00) | NR1H4FXR2HSD17B13 | |
| SCHEMBL1163928 | 0.94 | NR1H4 (1.00) | NR1H4FXR2HSD17B13 | |
| SCHEMBL17087853 | 0.94 | NR1H4 (1.00) | NR1H4FXR2HSD17B13 | |
| SCHEMBL17087849 | 0.94 | NR1H4 (1.00) | NR1H4FXR2HSD17B13 | |
| SCHEMBL19633927 | 0.93 | NR1H4 (0.89) | NR1H4FXR2HSD17B13 | |
| SCHEMBL18725003 | 0.90 | NR1H4 (1.00) | NR1H4FXR2HSD17B13 | |
| SCHEMBL1164201 | 0.89 | NR1H4 (0.90) | NR1H4FXR2HSD17B13 |
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-2022134146-A1 | NOVEL FXR AGONIST HAVING PYRAZINE STRUCTURE, AND PREPARATION METHOD AND USE | 江苏天士力帝益药业有限公司 | 2022-06-30 | — | — | WO | disclosed |