Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 7/20 | 0.58 |
| ▸ | GSK3B | P49841 | 7/20 | 0.58 |
| ▸ | AURKA | O14965 | 4/20 | 0.58 |
| ▸ | EIF2AK4 | Q9P2K8 | 3/20 | 0.51 |
| ▸ | MAPK6 | Q16659 | 10/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17821180 | 0.86 | GSK3A (0.67) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL18869318 | 0.84 | GSK3A (0.51) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL16264862 | 0.80 | GSK3A (0.65) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL16264840 | 0.80 | GSK3A (0.67) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL17827717 | 0.80 | GSK3A (0.67) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| Hydrochloric Acid SCHEMBL16245611 | 0.79 | GSK3A (0.66) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL16245737 | 0.78 | GSK3A (0.58) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL16245670 | 0.76 | GSK3A (0.60) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL16245618 | 0.75 | GSK3A (0.57) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL16245547 | 0.75 | EIF2AK4 (0.64) | GSK3AGSK3BAURKAEIF2AK4MAPK6 |
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-2994471-B1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2017-05-17 | — | — | EP | disclosed |