Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | IL1B | P01584 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | SMO | Q99835 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28963149 | 1.00 | HCRTR1 (0.43) | HCRTR1HCRTR2NLRP3BTKIL1B | |
| SCHEMBL28934423 | 0.88 | PIK3CD (0.46) | HCRTR1HCRTR2PBRM1PIK3CD | |
| SCHEMBL28934426 | 0.88 | PIK3CD (0.46) | HCRTR1HCRTR2PBRM1PIK3CD | |
| SCHEMBL30168040 | 0.87 | NLRP3 (0.52) | HCRTR1HCRTR2NLRP3IL1BPBRM1 | |
| SCHEMBL30108771 | 0.87 | NLRP3 (0.52) | HCRTR1HCRTR2NLRP3IL1BPBRM1 | |
| SCHEMBL24840287 | 0.87 | NLRP3 (0.52) | HCRTR1HCRTR2NLRP3IL1BPBRM1 | |
| SCHEMBL28934400 | 0.87 | NLRP3 (0.52) | HCRTR1HCRTR2NLRP3IL1BPBRM1 | |
| SCHEMBL29131878 | 0.86 | IL1B (0.42) | NLRP3BTKIL1BPBRM1SMO | |
| SCHEMBL29131876 | 0.86 | IL1B (0.42) | NLRP3BTKIL1BPBRM1SMO | |
| SCHEMBL28934321 | 0.80 | NLRP3 (0.41) | NLRP3BTKIL1BALDH1A1HPGD |
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 |