Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.44 |
| ▸ | TNKS | O95271 | 3/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL30101115 | 0.90 | PDE4A (0.47) | PDE4APDE4BPDE4CPDE4DTNKS | |
| SCHEMBL28934651 | 0.88 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DTNKS | |
| SCHEMBL28934472 | 0.88 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DTNKS | |
| SCHEMBL30101063 | 0.88 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DTNKS | |
| SCHEMBL30108722 | 0.88 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DTNKS | |
| SCHEMBL28934306 | 0.81 | PDE4A (0.45) | PDE4APDE4BPDE4CPDE4DTNKS | |
| SCHEMBL28934442 | 0.81 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DTNKS | |
| SCHEMBL30108665 | 0.81 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DROCK1 | |
| SCHEMBL8548318 | 0.77 | AR (0.46) | PDE4APDE4BPDE4CPDE4DROCK1 | |
| SCHEMBL28934538 | 0.76 | SCN9A (0.48) | PDE4APDE4BPDE4CPDE4DROCK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022253326-A1 | NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF | 药捷安康(南京)科技股份有限公司 | 2022-12-08 | — | — | WO | disclosed |
| 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 |