Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MPI | P34949 | 1/20 | 0.46 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29587289 | 0.81 | GPR84 (0.47) | NQO2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL2976968 | 0.81 | GPR84 (0.47) | NQO2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL21117322 | 0.80 | NQO2 (0.59) | NQO2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL31005171 | 0.80 | KCNH2 (0.37) | NQO2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL28246955 | 0.80 | CYP1A2 (0.50) | NQO2ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL31414179 | 0.80 | CYP2A6 (0.36) | NQO2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL27718808 | 0.80 | CYP1A2 (0.41) | NQO2CYP1A2CYP2C19 | |
| SCHEMBL7551728 | 0.77 | NQO2 (0.55) | NQO2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL15946484 | 0.76 | NQO2 (0.50) | NQO2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL1208635 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-117642407-A | Nitrogen-containing heterocyclic compound, preparation method, intermediate and application thereof | 上海艾力斯医药科技股份有限公司 | 2024-03-01 | — | — | CN | disclosed |