Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | TACR2 | P21452 | 1/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL31314385 | 0.85 | DHFR (0.40) | ALDH1A1DHFRMAPTHPGDNPSR1 | |
| SCHEMBL25857437 | 0.85 | DHFR (0.40) | ALDH1A1DHFRMAPTHPGDNPSR1 | |
| SCHEMBL25302371 | 0.82 | IL1B (0.35) | ALDH1A1 | |
| SCHEMBL30488552 | 0.82 | IL1B (0.35) | ALDH1A1 | |
| SCHEMBL25859689 | 0.82 | ALDH1A1 (0.37) | ALDH1A1DHFRMAPTHPGDNPSR1 | |
| SCHEMBL25857449 | 0.82 | CACNA2D1 (0.32) | CACNA2D1 | |
| SCHEMBL25294628 | 0.80 | CACNA2D1 (0.41) | ALDH1A1MAPTHPGDNPSR1SMN1; SMN2 | |
| SCHEMBL25294629 | 0.80 | CACNA2D1 (0.41) | ALDH1A1MAPTHPGDNPSR1SMN1; SMN2 | |
| SCHEMBL30488570 | 0.80 | CACNA2D1 (0.41) | ALDH1A1MAPTHPGDNPSR1SMN1; SMN2 | |
| SCHEMBL25862416 | 0.80 | CACNA2D1 (0.41) | ALDH1A1MAPTHPGDNPSR1SMN1; SMN2 |
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-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 |