Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.49 |
| ▸ | KDR | P35968 | 2/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.43 |
| ▸ | FBP1 | P09467 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 2/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29713901 | 0.95 | EGFR (0.49) | EGFRABCG2KDRPDE10AKDM4E | |
| SCHEMBL28798381 | 0.95 | EGFR (0.49) | EGFRABCG2KDRPDE10AKDM4E | |
| SCHEMBL28798352 | 0.94 | EGFR (0.49) | EGFRABCG2KDRPDE10AEPHA2 | |
| SCHEMBL29713903 | 0.94 | EGFR (0.49) | EGFRABCG2KDRPDE10AEPHA2 | |
| SCHEMBL29713892 | 0.91 | EGFR (0.51) | EGFRABCG2KDRPDE10AEPHA2 | |
| SCHEMBL29713895 | 0.91 | EGFR (0.51) | EGFRABCG2KDRPDE10AEPHA2 | |
| SCHEMBL28798413 | 0.91 | EGFR (0.51) | EGFRABCG2KDRPDE10AEPHA2 | |
| SCHEMBL28798365 | 0.88 | EGFR (0.49) | EGFRABCG2KDRPDE10AKDM4E | |
| SCHEMBL29713889 | 0.87 | EGFR (0.49) | EGFRABCG2KDRPDE10AEPHA2 | |
| SCHEMBL28798369 | 0.87 | EGFR (0.49) | EGFRABCG2KDRPDE10AEPHA2 |
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-114835683-A | Quinazoline-4, 6-diamine compound containing morpholinyl aromatic heterocycle and preparation method thereof | 江苏食品药品职业技术学院 | 2022-08-02 | — | — | CN | disclosed |