Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 7/20 | 0.49 |
| ▸ | SYK | P43405 | 3/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 9/20 | 0.40 |
| ▸ | TYMS | P04818 | 2/20 | 0.39 |
| ▸ | AURKA | O14965 | 3/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30822704 | 0.86 | ALK (0.36) | ALKTYMS | |
| SCHEMBL30822718 | 0.84 | TYMS (0.39) | ALKSYKTYMSAURKA | |
| SCHEMBL30822708 | 0.82 | AURKA (0.41) | ALKSYKAURKAAURKB | |
| SCHEMBL30822734 | 0.78 | TYMS (0.35) | TYMS | |
| SCHEMBL30822741 | 0.75 | ALK (0.41) | ALKNTRK1AURKAJAK2AURKB | |
| SCHEMBL29164558 | 0.73 | SYK (0.41) | ALKSYKNTRK1JAK2CASP3 | |
| SCHEMBL29164556 | 0.73 | SYK (0.41) | ALKSYKNTRK1JAK2CASP3 | |
| SCHEMBL30822680 | 0.73 | SYK (0.41) | ALKSYKNTRK1JAK2CASP3 | |
| SCHEMBL30822710 | 0.72 | CYP1A2 (0.40) | ALKAURKAJAK2AURKB | |
| SCHEMBL30822709 | 0.71 | ALK (0.36) | ALKSYKNTRK1AURKAJAK2 |
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-117659001-A | Aminopyrimidine derivatives and their use in medicine | 广东东阳光药业股份有限公司 | 2024-03-08 | — | — | CN | disclosed |