Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 12/20 | 0.76 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.76 |
| ▸ | PTK2 | Q05397 | 7/20 | 0.70 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.68 |
| ▸ | AURKA | O14965 | 1/20 | 0.68 |
| ▸ | MET | P08581 | 5/20 | 0.66 |
| ▸ | INSR | P06213 | 1/20 | 0.63 |
| ▸ | ROS1 | P08922 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL11916626 | 0.91 | ALK (0.77) | ALKHDAC1PTK2HDAC2HDAC6 | |
| SCHEMBL28387246 | 0.86 | ALK (1.00) | ALKHDAC1PTK2HDAC2HDAC6 | |
| SCHEMBL18350626 | 0.86 | ALK (0.83) | ALKHDAC1METINSRROS1 | |
| SCHEMBL21437921 | 0.86 | AXL (0.70) | ALKHDAC1PTK2HDAC2HDAC6 | |
| SCHEMBL11901091 | 0.84 | ALK (0.73) | ALKHDAC1PTK2HDAC2HDAC6 | |
| SCHEMBL23534017 | 0.84 | ALK (0.70) | ALKHDAC1PTK2HDAC2HDAC6 | |
| SCHEMBL29805788 | 0.84 | ALK (0.70) | ALKHDAC1PTK2HDAC2HDAC6 | |
| SCHEMBL29805808 | 0.83 | ALK (0.68) | ALKHDAC1PTK2HDAC2HDAC6 | |
| SCHEMBL26716965 | 0.83 | ALK (0.68) | ALKHDAC1PTK2HDAC2HDAC6 | |
| SCHEMBL17481584 | 0.83 | PTK2 (0.68) | ALKHDAC1PTK2HDAC2HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111039875-A | HDAC/ALK double-target-point inhibitor and preparation method and application thereof | 重庆医科大学 | 2020-04-21 | — | — | CN | disclosed |