Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TACR2 | P21452 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31314127 | 1.00 | ALDH1A1 (0.35) | ALDH1A1DHFRFDPSKDM4ETACR2 | |
| SCHEMBL25859461 | 0.87 | — | — | |
| SCHEMBL25858318 | 0.86 | ALDH1A1 (0.34) | ALDH1A1FDPSKDM4E | |
| SCHEMBL31314129 | 0.84 | ALOX5AP (0.32) | ALOX5APFEN1 | |
| SCHEMBL31314084 | 0.84 | ALDH1A1 (0.39) | ALDH1A1DHFRFDPSKDM4ETACR2 | |
| SCHEMBL25859343 | 0.84 | ALDH1A1 (0.39) | ALDH1A1DHFRFDPSKDM4ETACR2 | |
| SCHEMBL25858440 | 0.84 | ALDH1A1 (0.35) | ALDH1A1DHFRFDPSKDM4ETACR2 | |
| SCHEMBL31496006 | 0.83 | DHFR (0.35) | ALDH1A1DHFRFDPSKDM4ETACR2 | |
| SCHEMBL25858043 | 0.83 | DHFR (0.35) | ALDH1A1DHFRFDPSKDM4ETACR2 | |
| SCHEMBL31314309 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025036275-A1 | NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF | 药捷安康(南京)科技股份有限公司 | 2025-02-20 | — | — | WO | disclosed |
| 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 |