Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 2/20 | 0.46 |
| ▸ | BTK | Q06187 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 4/20 | 0.39 |
| ▸ | HRH1 | P35367 | 4/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL21677375 | 1.00 | CA1 (0.51) | CA1CA2CTSKBTKCYP2C9 | |
| SCHEMBL22602121 | 0.86 | CA1 (0.54) | CA1CA2CTSKBTKCYP2C9 | |
| SCHEMBL20697344 | 0.85 | CA1 (0.55) | CA1CA2CTSKBTKCYP2C9 | |
| SCHEMBL20689471 | 0.85 | CA1 (0.55) | CA1CA2CTSKBTKCYP2C9 | |
| SCHEMBL26062567 | 0.85 | CA1 (0.50) | CA1CA2CTSKBTKCYP2C9 | |
| SCHEMBL23881940 | 0.84 | SLC6A1 (0.43) | CACNA1HCYP2D6KCNH2 | |
| SCHEMBL20377503 | 0.84 | CA1 (0.56) | CA1CA2CTSKBTKCYP2C9 | |
| SCHEMBL29255478 | 0.84 | CA1 (0.56) | CA1CA2CTSKBTKCYP2C9 | |
| SCHEMBL23881938 | 0.84 | SLC6A1 (0.43) | CACNA1HCYP2D6KCNH2 | |
| SCHEMBL21733136 | 0.84 | CA1 (0.56) | CA1CA2CTSKBTKCYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112424207-B | NLRP3 inflammatory corpuscle inhibitor | 诺华股份有限公司 | 2024-03-19 | — | — | CN | disclosed |
| CN-112424207-A | NLRP3 inflammasome inhibitor | 诺华股份有限公司 | 2021-02-26 | — | — | CN | disclosed |