Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 6/20 | 0.44 |
| ▸ | IL1B | P01584 | 6/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL25864312 | 0.91 | NLRP3 (0.44) | NLRP3IL1BTNFKDM4ELMNA | |
| SCHEMBL25864310 | 0.91 | NLRP3 (0.42) | NLRP3IL1BTNFKDM4ELMNA | |
| SCHEMBL25864313 | 0.91 | NLRP3 (0.44) | NLRP3IL1BTNFKDM4ELMNA | |
| SCHEMBL25864309 | 0.90 | NLRP3 (0.42) | NLRP3IL1BTNFKDM4ELMNA | |
| SCHEMBL25864308 | 0.90 | NLRP3 (0.42) | NLRP3IL1BTNFKDM4ELMNA | |
| SCHEMBL25855661 | 0.89 | NLRP3 (0.55) | NLRP3IL1BTNFKDM4ELMNA | |
| SCHEMBL25864306 | 0.89 | NLRP3 (0.42) | NLRP3IL1BTNFKDM4ELMNA | |
| SCHEMBL25864314 | 0.89 | NLRP3 (0.42) | NLRP3IL1BTNFKDM4ELMNA | |
| SCHEMBL25864305 | 0.89 | NLRP3 (0.42) | NLRP3IL1BTNFKDM4ELMNA | |
| SCHEMBL25863875 | 0.84 | NLRP3 (0.64) | NLRP3IL1BTNFKCNH2 |
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 |