Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 7/20 | 0.56 |
| ▸ | GSK3B | P49841 | 7/20 | 0.56 |
| ▸ | AURKA | O14965 | 4/20 | 0.56 |
| ▸ | EIF2AK4 | Q9P2K8 | 6/20 | 0.56 |
| ▸ | MAPK6 | Q16659 | 2/20 | 0.48 |
| ▸ | JAK2 | O60674 | 5/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16245534 | 0.87 | GSK3A (0.57) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL17821181 | 0.84 | GSK3A (0.66) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL16264861 | 0.81 | EIF2AK4 (0.55) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL17821176 | 0.81 | EIF2AK4 (0.55) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL17821175 | 0.79 | EIF2AK4 (0.56) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL18869318 | 0.78 | GSK3A (0.51) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL16245596 | 0.78 | EIF2AK4 (0.59) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL16246001 | 0.78 | EIF2AK4 (0.53) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL16264890 | 0.77 | EIF2AK4 (0.60) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL16245597 | 0.77 | EIF2AK4 (0.60) | 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 |