Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 12/20 | 1.00 |
| ▸ | HDAC1 | Q13547 | 5/20 | 1.00 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.65 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.65 |
| ▸ | JAK1 | P23458 | 2/20 | 0.65 |
| ▸ | MET | P08581 | 6/20 | 0.65 |
| ▸ | PTK2 | Q05397 | 6/20 | 0.64 |
| ▸ | INSR | P06213 | 1/20 | 0.59 |
| ▸ | BRD4 | O60885 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL28384265 | 0.86 | ALK (0.76) | ALKHDAC1HDAC2HDAC6MET | |
| SCHEMBL28679068 | 0.86 | ALK (0.76) | ALKHDAC1MET | |
| SCHEMBL11916626 | 0.83 | ALK (0.77) | ALKHDAC1HDAC2HDAC6MET | |
| SCHEMBL18350626 | 0.81 | ALK (0.83) | ALKHDAC1METINSR | |
| SCHEMBL11901091 | 0.81 | ALK (0.73) | ALKHDAC1HDAC2HDAC6MET | |
| SCHEMBL28666113 | 0.80 | ALK (0.66) | ALKHDAC1HDAC2HDAC6MET | |
| SCHEMBL15206964 | 0.79 | PTK2 (0.70) | ALKHDAC1HDAC2HDAC6MET | |
| SCHEMBL28383762 | 0.79 | ALK (1.00) | ALKHDAC1HDAC2HDAC6MET | |
| SCHEMBL28381749 | 0.79 | ALK (0.83) | ALKHDAC1HDAC2HDAC6MET | |
| SCHEMBL2594471 | 0.79 | ALK (0.74) | ALKHDAC1MET |
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 |