Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.49 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 8/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 4/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25860642 | 0.91 | NLRP3 (0.50) | NLRP3CACNA2D1MAPTNPSR1ALDH1A1 | |
| SCHEMBL25300749 | 0.85 | NLRP3 (0.49) | NLRP3CACNA2D1MAPTNPSR1ALDH1A1 | |
| SCHEMBL30488532 | 0.85 | NLRP3 (0.49) | NLRP3CACNA2D1MAPTNPSR1ALDH1A1 | |
| SCHEMBL25858870 | 0.81 | ALDH1A1 (0.38) | CACNA2D1MAPTNPSR1ALDH1A1HTT | |
| SCHEMBL30488593 | 0.77 | NLRP3 (0.56) | NLRP3MAPTNPSR1ALDH1A1HTT | |
| SCHEMBL25255256 | 0.77 | CDK7 (0.39) | — | |
| SCHEMBL25300203 | 0.77 | CDK7 (0.39) | — | |
| SCHEMBL30517810 | 0.76 | NLRP3 (0.42) | NLRP3MAPTNPSR1ALDH1A1HTT | |
| SCHEMBL25859255 | 0.75 | CYP1A1 (0.33) | CACNA2D1MAPTNPSR1ALDH1A1HTT | |
| SCHEMBL25862807 | 0.74 | CACNA2D1 (0.44) | NLRP3CACNA2D1MAPTNPSR1ALDH1A1 |
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 |