Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 9/20 | 0.44 |
| ▸ | PPARA | Q07869 | 9/20 | 0.44 |
| ▸ | PPARG | P37231 | 3/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.37 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29124532 | 0.84 | PPARD (0.46) | PPARDPPARAPPARGROCK2HSD17B3 | |
| SCHEMBL29124529 | 0.84 | PPARD (0.44) | PPARDPPARAPPARGROCK2HSD17B3 | |
| SCHEMBL29124527 | 0.84 | ALDH1A1 (0.45) | PPARDPPARAPPARGROCK2HSD17B3 | |
| SCHEMBL22349793 | 0.81 | PPARD (0.48) | PPARDPPARAPPARGROCK2HSD17B3 | |
| SCHEMBL29124531 | 0.81 | HSD17B3 (0.57) | PPARDPPARAPPARGROCK2HSD17B3 | |
| SCHEMBL23539560 | 0.78 | PPARD (0.52) | PPARDPPARAPPARGROCK2SCD | |
| SCHEMBL29124525 | 0.78 | SMN1; SMN2 (0.44) | PPARDPPARAPPARGROCK2HSD17B3 | |
| SCHEMBL7458461 | 0.77 | MAPT (0.56) | HSD17B3 | |
| SCHEMBL3535318 | 0.75 | HTR1A (0.44) | PPARDPPARAPPARGROCK2HSD17B3 | |
| SCHEMBL29124530 | 0.75 | ROCK2 (0.49) | ROCK2HSD17B3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115181156-B | Hederagenin derivative and application thereof in preparation of antitumor drugs | 延边大学 | 2023-11-10 | — | — | CN | disclosed |