Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | COMT | P21964 | 2/20 | 0.34 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL25858077 | 0.87 | KDM4E (0.35) | KDM4ECOMTFTOSLC6A2HTT | |
| SCHEMBL25858838 | 0.84 | ALDH1A1 (0.45) | CYP1A1CYP1A2CYP1B1KDRNLRP3 | |
| SCHEMBL25858194 | 0.84 | HSP90AA1 (0.37) | KDM4ECOMTFTOSLC6A2HTT | |
| SCHEMBL25856433 | 0.72 | KDM4E (0.41) | KDM4ECYP1A1CYP1A2CYP1B1KMT2A | |
| SCHEMBL25856769 | 0.71 | ALDH1A1 (0.46) | KDRNLRP3ALDH1A1LMNAMAPT | |
| SCHEMBL25854617 | 0.70 | NLRP3 (0.52) | KDM4ENLRP3 | |
| SCHEMBL25857850 | 0.69 | NLRP3 (0.42) | NLRP3EGLN1 | |
| SCHEMBL25299180 | 0.69 | KDM4E (0.38) | KDM4ECOMTSLC6A2HTTPDE4D | |
| SCHEMBL30488502 | 0.69 | KDM4E (0.38) | KDM4ECOMTSLC6A2HTTPDE4D | |
| SCHEMBL25856341 | 0.69 | HSP90AA1 (0.38) | KDM4ECOMTFTOSLC6A2HTT |
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 |