Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.41 |
| ▸ | JAK1 | P23458 | 4/20 | 0.39 |
| ▸ | JAK3 | P52333 | 3/20 | 0.39 |
| ▸ | IL1B | P01584 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 3/20 | 0.38 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 3/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | SMO | Q99835 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28934321 | 1.00 | NLRP3 (0.41) | NLRP3JAK1JAK3IL1BBTK | |
| SCHEMBL31091178 | 0.88 | PRMT5 (0.42) | NLRP3JAK1JAK3IL1BJAK2 | |
| SCHEMBL24840029 | 0.87 | NLRP3 (0.51) | NLRP3IL1BMAPK1 | |
| SCHEMBL24840762 | 0.87 | NLRP3 (0.51) | NLRP3IL1BMAPK1 | |
| SCHEMBL30108706 | 0.87 | NLRP3 (0.51) | NLRP3IL1BMAPK1 | |
| SCHEMBL28963147 | 0.80 | HCRTR1 (0.43) | NLRP3JAK1JAK3IL1BBTK | |
| SCHEMBL28963149 | 0.80 | HCRTR1 (0.43) | NLRP3JAK1JAK3IL1BBTK | |
| SCHEMBL29189096 | 0.80 | JAK1 (0.42) | JAK1JAK3BTKPROKR1JAK2 | |
| SCHEMBL29189098 | 0.80 | JAK1 (0.42) | JAK1JAK3BTKPROKR1JAK2 | |
| SCHEMBL30108895 | 0.79 | CHEK2 (0.45) | NLRP3IL1B |
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-115433163-A | NLRP3 inflammasome inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2022-12-06 | — | — | CN | disclosed |