Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 7/20 | 0.53 |
| ▸ | GSK3B | P49841 | 7/20 | 0.53 |
| ▸ | AURKA | O14965 | 4/20 | 0.53 |
| ▸ | ITK | Q08881 | 3/20 | 0.44 |
| ▸ | EIF2AK4 | Q9P2K8 | 3/20 | 0.43 |
| ▸ | MAPK6 | Q16659 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL16245529 | 0.94 | GSK3A (0.59) | GSK3AGSK3BAURKAITKEIF2AK4 | |
| SCHEMBL16245550 | 0.93 | GSK3A (0.59) | GSK3AGSK3BAURKAITKEIF2AK4 | |
| SCHEMBL16245626 | 0.88 | GSK3A (0.59) | GSK3AGSK3BAURKAITKEIF2AK4 | |
| SCHEMBL16264842 | 0.88 | GSK3A (0.56) | GSK3AGSK3BAURKAITKEIF2AK4 | |
| SCHEMBL16245750 | 0.82 | GSK3A (0.53) | GSK3AGSK3BAURKAITKEIF2AK4 | |
| SCHEMBL18869178 | 0.82 | GSK3A (0.53) | GSK3AGSK3BAURKAITKEIF2AK4 | |
| SCHEMBL16245554 | 0.82 | RPS6KA3 (0.51) | GSK3AGSK3BAURKAITKEGFR | |
| SCHEMBL17821176 | 0.81 | EIF2AK4 (0.55) | GSK3AGSK3BAURKAITKEIF2AK4 | |
| SCHEMBL16245915 | 0.80 | GSK3A (0.52) | GSK3AGSK3BAURKAITKEIF2AK4 | |
| SCHEMBL16245590 | 0.80 | RPS6KA3 (0.50) | GSK3AGSK3BAURKAITKEGFR |
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 |