Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 20/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| SCHEMBL31395402 | 0.70 | NLRP3 (0.54) | NLRP3CYP2C9KCNH2 | |
| Isoalantolactone SCHEMBL510111 | 0.62 | NLRP3 (1.00) | NLRP3CYP2C9 | |
| Isoalantolactone SCHEMBL15944432 | 0.62 | NLRP3 (1.00) | NLRP3CYP2C9 | |
| Isoalantolactone SCHEMBL14029266 | 0.62 | NLRP3 (1.00) | NLRP3CYP2C9 | |
| Isoalantolactone SCHEMBL8223246 | 0.62 | NLRP3 (1.00) | NLRP3CYP2C9 | |
| SCHEMBL474122 | 0.58 | KDM4E (0.44) | — | |
| SCHEMBL29551416 | 0.58 | KDM4E (0.44) | — | |
| SCHEMBL15525962 | 0.58 | NNMT (0.40) | NLRP3CYP2C9KCNH2 | |
| Encelin SCHEMBL6420856 | 0.56 | PTGS2 (1.00) | NLRP3CYP2C9 | |
| SCHEMBL18298896 | 0.55 | ATR (0.43) | NLRP3CYP2C9KCNH2 |
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-118146202-A | Isoalantolactone derivative and preparation method and application thereof | 四川大学华西医院 | 2024-06-07 | — | — | CN | disclosed |