Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 5/20 | 0.51 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.44 |
| ▸ | IL1B | P01584 | 3/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28934509 | 1.00 | NLRP3 (0.51) | NLRP3KAT2BIL1BCHRNB2CHRNB4 | |
| SCHEMBL26132326 | 0.90 | NLRP3 (0.57) | NLRP3KAT2BIL1BALDH1A1KDM4E | |
| SCHEMBL26132323 | 0.90 | NLRP3 (0.57) | NLRP3KAT2BIL1BALDH1A1KDM4E | |
| SCHEMBL29276148 | 0.89 | NLRP3 (0.56) | NLRP3KAT2BIL1BCHRNB2CHRNB4 | |
| SCHEMBL29276145 | 0.89 | NLRP3 (0.56) | NLRP3KAT2BIL1BCHRNB2CHRNB4 | |
| SCHEMBL25255243 | 0.88 | NLRP3 (0.51) | NLRP3KAT2BIL1BALDH1A1EHMT2 | |
| SCHEMBL25296315 | 0.88 | NLRP3 (0.51) | NLRP3KAT2BIL1BALDH1A1EHMT2 | |
| SCHEMBL28934273 | 0.88 | NLRP3 (0.51) | NLRP3KAT2BIL1BALDH1A1 | |
| SCHEMBL28934279 | 0.88 | NLRP3 (0.51) | NLRP3KAT2BIL1BALDH1A1 | |
| SCHEMBL25296226 | 0.87 | NLRP3 (0.50) | NLRP3KAT2BIL1BALDH1A1 |
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 |