Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 6/20 | 0.48 |
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.47 |
| ▸ | IL1B | P01584 | 3/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.43 |
| ▸ | CCNK | O75909 | 4/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.43 |
| ▸ | CDK2 | P24941 | 4/20 | 0.43 |
| ▸ | CDK9 | P50750 | 4/20 | 0.43 |
| ▸ | CDK12 | Q9NYV4 | 4/20 | 0.43 |
| ▸ | CDK7 | P50613 | 2/20 | 0.43 |
| ▸ | CCNH | P51946 | 2/20 | 0.43 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.42 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30101091 | 1.00 | CHEK2 (0.48) | CHEK2NLRP3IL1BCCNT1CCNK | |
| SCHEMBL28934344 | 1.00 | CHEK2 (0.48) | CHEK2NLRP3IL1BCCNT1CCNK | |
| SCHEMBL28934498 | 0.93 | CHEK2 (0.48) | CHEK2NLRP3IL1BCCNT1CCNK | |
| SCHEMBL28934502 | 0.93 | CHEK2 (0.48) | CHEK2NLRP3IL1BCCNT1CCNK | |
| SCHEMBL28934447 | 0.91 | CHEK2 (0.48) | CHEK2NLRP3IL1BCCNT1CCNK | |
| SCHEMBL30108677 | 0.91 | CHEK2 (0.48) | CHEK2NLRP3IL1BCCNT1CCNK | |
| SCHEMBL28934450 | 0.91 | CHEK2 (0.48) | CHEK2NLRP3IL1BCCNT1CCNK | |
| SCHEMBL30108921 | 0.87 | CHEK2 (0.54) | CHEK2NLRP3IL1BCCNT1CCNK | |
| SCHEMBL28934455 | 0.87 | CHEK2 (0.54) | CHEK2NLRP3IL1BCCNT1CCNK | |
| SCHEMBL28934459 | 0.87 | CHEK2 (0.54) | CHEK2NLRP3IL1BCCNT1CCNK |
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-115433163-A | NLRP3 inflammasome inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2022-12-06 | — | — | CN | disclosed |