Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 9/20 | 0.52 |
| ▸ | IL1B | P01584 | 7/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PBRM1 | Q86U86 | 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 | |
|---|---|---|---|---|
| SCHEMBL24840287 | 1.00 | NLRP3 (0.52) | NLRP3IL1BCHRM2CHRM4CHRM5 | |
| SCHEMBL30168040 | 1.00 | NLRP3 (0.52) | NLRP3IL1BCHRM2CHRM4CHRM5 | |
| SCHEMBL28934400 | 1.00 | NLRP3 (0.52) | NLRP3IL1BCHRM2CHRM4CHRM5 | |
| SCHEMBL30624669 | 0.89 | IL1B (0.51) | NLRP3IL1BCHRM2CHRM4CHRM5 | |
| SCHEMBL29131879 | 0.89 | IL1B (0.51) | NLRP3IL1BCHRM2CHRM4CHRM5 | |
| SCHEMBL29131884 | 0.89 | IL1B (0.51) | NLRP3IL1BCHRM2CHRM4CHRM5 | |
| SCHEMBL28963147 | 0.87 | HCRTR1 (0.43) | NLRP3IL1BHCRTR1HCRTR2PBRM1 | |
| SCHEMBL28963149 | 0.87 | HCRTR1 (0.43) | NLRP3IL1BHCRTR1HCRTR2PBRM1 | |
| SCHEMBL29131880 | 0.86 | IL1B (0.54) | NLRP3IL1B | |
| SCHEMBL29275818 | 0.86 | IL1B (0.54) | 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 |