Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 5/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | USP7 | Q93009 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25862580 | 0.85 | USP7 (0.32) | NLRP3USP7 | |
| SCHEMBL25856342 | 0.85 | USP7 (0.32) | NLRP3USP7 | |
| SCHEMBL25856433 | 0.75 | KDM4E (0.41) | — | |
| SCHEMBL25858377 | 0.73 | NLRP3 (0.35) | NLRP3 | |
| SCHEMBL25859518 | 0.72 | NLRP3 (0.37) | BACE1NLRP3 | |
| SCHEMBL25858194 | 0.71 | HSP90AA1 (0.37) | — | |
| SCHEMBL25858389 | 0.69 | NLRP3 (0.36) | NLRP3KCNH2 | |
| SCHEMBL25856423 | 0.68 | NLRP3 (0.30) | NLRP3 | |
| SCHEMBL31314107 | 0.66 | NLRP3 (0.34) | NLRP3 | |
| SCHEMBL25857850 | 0.65 | NLRP3 (0.42) | NLRP3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023131277-A1 | NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF | 药捷安康(南京)科技股份有限公司 | 2023-07-13 | — | — | WO | disclosed |