Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | CCNK | O75909 | 7/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.35 |
| ▸ | CDK2 | P24941 | 7/20 | 0.35 |
| ▸ | CDK7 | P50613 | 7/20 | 0.35 |
| ▸ | CCNH | P51946 | 7/20 | 0.35 |
| ▸ | MNAT1 | P51948 | 7/20 | 0.35 |
| ▸ | CDK12 | Q9NYV4 | 7/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 3/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29030511 | 1.00 | IL1B (0.37) | IL1BNLRP3JAK3EGFRITK | |
| SCHEMBL29030479 | 0.90 | BTK (0.39) | IL1BNLRP3JAK3JAK1 | |
| SCHEMBL29030478 | 0.90 | BTK (0.39) | IL1BNLRP3JAK3JAK1 | |
| SCHEMBL30488543 | 0.90 | BTK (0.39) | IL1BNLRP3JAK3JAK1 | |
| SCHEMBL29042803 | 0.89 | NLRP3 (0.37) | IL1BNLRP3 | |
| SCHEMBL26092921 | 0.87 | IL1B (0.47) | IL1BNLRP3CCNKCDK2CDK12 | |
| SCHEMBL26092924 | 0.87 | IL1B (0.47) | IL1BNLRP3CCNKCDK2CDK12 | |
| SCHEMBL29042799 | 0.86 | NLRP3 (0.37) | IL1BNLRP3JAK3CDK2JAK1 | |
| SCHEMBL29042800 | 0.86 | NLRP3 (0.37) | IL1BNLRP3JAK3CDK2JAK1 | |
| SCHEMBL26439664 | 0.86 | PIK3CD (0.39) | IL1BNLRP3JAK3JAK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116410140-A | NLRP3 inflammation corpuscle inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2023-07-11 | — | — | CN | disclosed |