Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | FBP1 | P09467 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL158086 | 0.89 | ABCG2 (0.62) | EGFRABCG2ACHEBACE1ALDH1A1 | |
| SCHEMBL28798339 | 0.82 | EGFR (0.52) | EGFRABCG2ACHEBACE1ALDH1A1 | |
| SCHEMBL28798336 | 0.82 | EGFR (0.59) | EGFRABCG2FBP1KDRSRC | |
| SCHEMBL29713895 | 0.82 | EGFR (0.51) | EGFRABCG2ACHEBACE1FBP1 | |
| SCHEMBL29713892 | 0.82 | EGFR (0.51) | EGFRABCG2ACHEBACE1FBP1 | |
| SCHEMBL28798413 | 0.82 | EGFR (0.51) | EGFRABCG2ACHEBACE1FBP1 | |
| SCHEMBL28798341 | 0.81 | EGFR (0.52) | EGFRABCG2ACHEBACE1ALDH1A1 | |
| SCHEMBL29713901 | 0.78 | EGFR (0.49) | EGFRABCG2ACHEBACE1ALDH1A1 | |
| SCHEMBL28798365 | 0.78 | EGFR (0.49) | EGFRABCG2ACHEBACE1ALDH1A1 | |
| SCHEMBL28798381 | 0.78 | EGFR (0.49) | EGFRABCG2ACHEBACE1ALDH1A1 |
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 |