Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 12/20 | 0.61 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.42 |
| ▸ | IL1B | P01584 | 4/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30108684 | 1.00 | NLRP3 (0.61) | NLRP3DRD2DRD3KDM2BIL1B | |
| SCHEMBL28934589 | 1.00 | NLRP3 (0.61) | NLRP3DRD2DRD3KDM2BIL1B | |
| SCHEMBL25864235 | 0.91 | NLRP3 (0.49) | NLRP3IL1BROCK2 | |
| SCHEMBL28934462 | 0.87 | NLRP3 (0.67) | NLRP3IL1B | |
| SCHEMBL28934456 | 0.87 | NLRP3 (0.67) | NLRP3IL1B | |
| SCHEMBL30108739 | 0.87 | NLRP3 (0.67) | NLRP3IL1B | |
| SCHEMBL30108711 | 0.85 | NLRP3 (0.65) | NLRP3IL1B | |
| SCHEMBL28934522 | 0.85 | NLRP3 (0.65) | NLRP3IL1B | |
| SCHEMBL28934515 | 0.85 | NLRP3 (0.65) | NLRP3IL1B | |
| SCHEMBL28934774 | 0.85 | NLRP3 (0.64) | NLRP3IL1BIRAK4 |
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 |