Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.39 |
| ▸ | CTSA | P10619 | 5/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PLA2G10 | O15496 | 3/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.36 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.36 |
| ▸ | PLA2G12B | Q9BX93 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30010754 | 0.82 | NLRP3 (0.39) | HSP90AA1HSP90AB1NLRP3PLA2G2APLA2G1B | |
| SCHEMBL25139030 | 0.81 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1PLA2G2A | |
| SCHEMBL25139048 | 0.79 | NLRP3 (0.40) | HSP90AA1HSP90AB1NLRP3PLA2G2A | |
| SCHEMBL25139302 | 0.79 | NLRP3 (0.46) | HSP90AA1HSP90AB1NLRP3 | |
| SCHEMBL29493488 | 0.77 | BCAT2 (0.53) | BCAT2HSP90AA1HSP90AB1IRAK4KEAP1 | |
| SCHEMBL25138966 | 0.76 | PTGER1 (0.51) | HTT | |
| SCHEMBL25138972 | 0.76 | PTGER3 (0.43) | — | |
| SCHEMBL27926363 | 0.75 | BCAT2 (0.76) | BCAT2CHEK1ALOX5APFEN1KEAP1 | |
| SCHEMBL5490427 | 0.74 | BCAT2 (0.51) | BCAT2HSP90AA1HSP90AB1CTSACHEK1 | |
| SCHEMBL2817756 | 0.73 | GABRA1 (0.55) | HSP90AA1HSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3658538-B1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2023-04-19 | — | — | EP | disclosed |