Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 6/20 | 0.47 |
| ▸ | GSK3B | P49841 | 6/20 | 0.47 |
| ▸ | AURKA | O14965 | 4/20 | 0.47 |
| ▸ | EIF2AK4 | Q9P2K8 | 3/20 | 0.45 |
| ▸ | ITK | Q08881 | 3/20 | 0.41 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17821182 | 0.94 | GSK3A (0.51) | GSK3AGSK3BAURKAEIF2AK4ITK | |
| SCHEMBL16245707 | 0.92 | EIF2AK4 (0.47) | GSK3AGSK3BAURKAEIF2AK4ITK | |
| SCHEMBL16245568 | 0.91 | GSK3A (0.51) | GSK3AGSK3BAURKAEIF2AK4ITK | |
| SCHEMBL17821171 | 0.90 | GSK3A (0.52) | GSK3AGSK3BAURKAEIF2AK4ITK | |
| SCHEMBL16245915 | 0.90 | GSK3A (0.52) | GSK3AGSK3BAURKAEIF2AK4ITK | |
| SCHEMBL16245530 | 0.90 | GSK3A (0.53) | GSK3AGSK3BAURKAEIF2AK4ITK | |
| SCHEMBL17821176 | 0.85 | EIF2AK4 (0.55) | GSK3AGSK3BAURKAEIF2AK4ITK | |
| SCHEMBL16264861 | 0.85 | EIF2AK4 (0.55) | GSK3AGSK3BAURKAEIF2AK4ITK | |
| SCHEMBL17821175 | 0.84 | EIF2AK4 (0.56) | GSK3AGSK3BAURKAEIF2AK4ITK | |
| SCHEMBL16245585 | 0.84 | EIF2AK4 (0.47) | 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 |