Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 6/20 | 0.54 |
| ▸ | GSK3B | P49841 | 6/20 | 0.54 |
| ▸ | AURKA | O14965 | 4/20 | 0.54 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | WEE1 | P30291 | 1/20 | 0.37 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND3 | P30281 | 1/20 | 0.35 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16264886 | 0.94 | GSK3A (0.48) | GSK3AGSK3BAURKAEIF2AK4SRC | |
| SCHEMBL16245568 | 0.91 | GSK3A (0.51) | GSK3AGSK3BAURKAEIF2AK4SRC | |
| SCHEMBL16245915 | 0.90 | GSK3A (0.52) | GSK3AGSK3BAURKAEIF2AK4SRC | |
| SCHEMBL17821182 | 0.86 | GSK3A (0.51) | GSK3AGSK3BAURKAEIF2AK4SRC | |
| SCHEMBL16245585 | 0.86 | EIF2AK4 (0.47) | GSK3AGSK3BAURKAEIF2AK4MAPK6 | |
| SCHEMBL16245615 | 0.85 | ITK (0.49) | GSK3AGSK3BAURKAEIF2AK4SRC | |
| SCHEMBL17821171 | 0.85 | GSK3A (0.52) | GSK3AGSK3BAURKAEIF2AK4SRC | |
| SCHEMBL16245530 | 0.84 | GSK3A (0.53) | GSK3AGSK3BAURKAEIF2AK4SRC | |
| SCHEMBL16245529 | 0.83 | GSK3A (0.59) | GSK3AGSK3BAURKAEIF2AK4SRC | |
| SCHEMBL16245550 | 0.83 | GSK3A (0.59) | GSK3AGSK3BAURKAEIF2AK4SRC |
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 |