Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.30 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TACR2 | P21452 | 1/20 | 0.30 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25858043 | 1.00 | DHFR (0.35) | DHFRALDH1A1HPGDTDP1L3MBTL1 | |
| SCHEMBL25857437 | 0.84 | DHFR (0.40) | DHFRALDH1A1HPGDTDP1L3MBTL1 | |
| SCHEMBL31314385 | 0.84 | DHFR (0.40) | DHFRALDH1A1HPGDTDP1L3MBTL1 | |
| SCHEMBL31314127 | 0.83 | ALDH1A1 (0.35) | DHFRALDH1A1FDPSKDM4ETACR2 | |
| SCHEMBL25859857 | 0.83 | ALDH1A1 (0.35) | DHFRALDH1A1FDPSKDM4ETACR2 | |
| SCHEMBL31314201 | 0.83 | CACNA2D1 (0.31) | CACNA2D1 | |
| SCHEMBL25858440 | 0.83 | ALDH1A1 (0.35) | DHFRALDH1A1FDPSTNK2KDM4E | |
| SCHEMBL31314286 | 0.82 | ALOX5AP (0.42) | L3MBTL1MAPT | |
| SCHEMBL25258312 | 0.79 | ALDH1A1 (0.35) | ALDH1A1HPGDTDP1L3MBTL1MAPT | |
| SCHEMBL31314221 | 0.78 | HTR2A (0.33) | MAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |