Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 2/20 | 0.34 |
| ▸ | ENPP3 | O14638 | 3/20 | 0.33 |
| ▸ | KLK7 | P49862 | 1/20 | 0.33 |
| ▸ | KLK14 | Q9P0G3 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25855668 | 0.82 | NLRP3 (0.47) | ALDH1A1MAPTGAALMNA | |
| SCHEMBL25857067 | 0.80 | KDM4E (0.43) | TRPA1ESR1ESR2 | |
| SCHEMBL25864315 | 0.77 | NLRP3 (0.39) | ALDH1A1MAPTGAATRPA1MPO | |
| SCHEMBL25856769 | 0.76 | ALDH1A1 (0.46) | ALDH1A1MAPTGAAPDK1PDK2 | |
| SCHEMBL25861294 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPTGAAPDK1PDK2 | |
| SCHEMBL25300751 | 0.76 | NLRP3 (0.62) | — | |
| SCHEMBL25300752 | 0.76 | NLRP3 (0.62) | — | |
| SCHEMBL25858838 | 0.75 | ALDH1A1 (0.45) | ALDH1A1MAPTGAAPDK1PDK2 | |
| SCHEMBL25861920 | 0.72 | NLRP3 (0.39) | TRPA1APPESR1ESR2 | |
| SCHEMBL29502822 | 0.67 | TRPA1 (0.52) | ALDH1A1MAPTGAANPSR1TRPA1 |
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 |