Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 18/20 | 0.61 |
| ▸ | INSR | P06213 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18759915 | 0.85 | ALK (0.84) | ALKINSRKCNH2 | |
| SCHEMBL18779986 | 0.81 | ALK (0.63) | ALKINSRMAP4K1 | |
| SCHEMBL18779940 | 0.80 | MAP4K1 (0.73) | ALKKCNH2MAP4K1 | |
| SCHEMBL18779884 | 0.79 | ALK (0.70) | ALKINSRKCNH2MAP4K1 | |
| SCHEMBL18780024 | 0.78 | MAP4K1 (0.50) | ALKINSRKCNH2MAP4K1 | |
| SCHEMBL18759888 | 0.77 | ALK (0.82) | ALKINSRKCNH2 | |
| SCHEMBL18779919 | 0.77 | MAP4K1 (0.59) | ALKINSRMAP4K1 | |
| SCHEMBL18760014 | 0.76 | ALK (1.00) | ALKINSRKCNH2 | |
| Hydrochloric Acid SCHEMBL18759870 | 0.76 | ALK (0.98) | ALKINSRKCNH2 | |
| SCHEMBL18779889 | 0.75 | MAP4K1 (0.54) | ALKKCNH2MAP4K1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3159338-A2 | PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT | Korea Research Institute of Chemical Technology (KR) | 2017-04-26 | — | — | EP | disclosed |