Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 10/20 | 0.51 |
| ▸ | NLRP3 | Q96P20 | 6/20 | 0.51 |
| ▸ | CCNK | O75909 | 6/20 | 0.42 |
| ▸ | CDK12 | Q9NYV4 | 6/20 | 0.42 |
| ▸ | CDK7 | P50613 | 4/20 | 0.42 |
| ▸ | CCNH | P51946 | 4/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.42 |
| ▸ | CDK2 | P24941 | 4/20 | 0.42 |
| ▸ | CDK9 | P50750 | 4/20 | 0.42 |
| ▸ | MNAT1 | P51948 | 3/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30834025 | 1.00 | IL1B (0.51) | IL1BNLRP3CCNKCDK12CDK7 | |
| SCHEMBL30833946 | 0.85 | NLRP3 (0.55) | IL1BNLRP3TNF | |
| SCHEMBL25302079 | 0.85 | NLRP3 (0.42) | IL1BNLRP3CCNKCDK12CDK7 | |
| SCHEMBL30488537 | 0.85 | NLRP3 (0.42) | IL1BNLRP3CCNKCDK12CDK7 | |
| SCHEMBL25262878 | 0.85 | NLRP3 (0.42) | IL1BNLRP3CCNKCDK12CDK7 | |
| SCHEMBL30488601 | 0.85 | NLRP3 (0.42) | IL1BNLRP3CCNKCDK12CDK7 | |
| SCHEMBL30833973 | 0.81 | IL1B (0.77) | IL1BNLRP3 | |
| SCHEMBL30833859 | 0.80 | IL1B (0.74) | IL1BNLRP3TNF | |
| SCHEMBL31681934 | 0.79 | IL1B (0.59) | IL1BNLRP3TNF | |
| SCHEMBL30833951 | 0.79 | IL1B (0.59) | IL1BNLRP3TNF |
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-117986258-A | NLRP3 inflammation corpuscle inhibitor and application thereof | 药捷安康(南京)科技股份有限公司 | 2024-05-07 | — | — | CN | disclosed |