Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 6/20 | 0.51 |
| ▸ | GSK3B | P49841 | 6/20 | 0.51 |
| ▸ | AURKA | O14965 | 4/20 | 0.51 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 11/20 | 0.44 |
| ▸ | JAK2 | O60674 | 9/20 | 0.44 |
| ▸ | JAK1 | P23458 | 3/20 | 0.44 |
| ▸ | TYK2 | P29597 | 3/20 | 0.44 |
| ▸ | JAK3 | P52333 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL16246073 | 0.99 | GSK3A (0.50) | GSK3AGSK3BAURKAEIF2AK4HDAC6 | |
| SCHEMBL16264890 | 0.88 | EIF2AK4 (0.60) | GSK3AGSK3BAURKAEIF2AK4HDAC6 | |
| SCHEMBL16245882 | 0.88 | EIF2AK4 (0.60) | GSK3AGSK3BAURKAEIF2AK4HDAC6 | |
| SCHEMBL17827726 | 0.88 | GSK3A (0.58) | GSK3AGSK3BAURKAEIF2AK4HDAC6 | |
| SCHEMBL16245618 | 0.88 | GSK3A (0.57) | GSK3AGSK3BAURKAEIF2AK4HDAC6 | |
| Hydrochloric Acid SCHEMBL17821173 | 0.88 | EIF2AK4 (0.59) | GSK3AGSK3BAURKAEIF2AK4HDAC6 | |
| Hydrochloric Acid SCHEMBL16245880 | 0.87 | GSK3A (0.57) | GSK3AGSK3BAURKAEIF2AK4HDAC6 | |
| SCHEMBL16245597 | 0.87 | EIF2AK4 (0.60) | GSK3AGSK3BAURKAEIF2AK4HDAC6 | |
| Hydrochloric Acid SCHEMBL17821184 | 0.86 | EIF2AK4 (0.59) | GSK3AGSK3BAURKAEIF2AK4HDAC6 | |
| SCHEMBL17821181 | 0.85 | GSK3A (0.66) | GSK3AGSK3BAURKAEIF2AK4HDAC6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9861635-B2 | Macrocycles as kinase inhibitors | MERCK PATENT GMBH (DE) | 2018-01-09 | — | — | US | disclosed |
| EP-2994471-B1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2017-05-17 | — | — | EP | disclosed |