Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | GAK | O14976 | 2/20 | 0.49 |
| ▸ | CCNC | P24863 | 1/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.46 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.46 |
| ▸ | CTSC | P53634 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 3/20 | 0.44 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.43 |
| ▸ | CLK2 | P49760 | 1/20 | 0.42 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.42 |
| ▸ | NEK4 | P51957 | 1/20 | 0.42 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.42 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.42 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.42 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19633690 | 0.92 | GAK (0.47) | GSK3AGSK3BGAKCCNCCDK8 | |
| SCHEMBL19633681 | 0.90 | CCNC (0.51) | GSK3AGSK3BGAKCCNCCDK8 | |
| SCHEMBL19633566 | 0.87 | SIRT2 (0.47) | GAKSIRT2KDRALKAPP | |
| SCHEMBL19633503 | 0.84 | GAK (0.53) | GSK3AGSK3BGAKSIRT2PTK6 | |
| SCHEMBL19633545 | 0.81 | KMT2A (0.49) | CCNCCDK8SIRT2PTK6ALK | |
| SCHEMBL19633687 | 0.81 | ERBB2 (0.49) | GAKSIRT2ALK | |
| SCHEMBL19633629 | 0.80 | GSK3A (0.61) | GSK3AGSK3BGAKPTK6KDR | |
| SCHEMBL19633751 | 0.78 | GAK (0.66) | GSK3AGSK3BGAKKDRCLK2 | |
| SCHEMBL19633692 | 0.77 | CCNC (0.50) | CCNCCDK8SIRT2ALK | |
| SCHEMBL21121558 | 0.76 | GAK (0.68) | GSK3AGSK3BGAKPTK6KDR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017198196-A1 | QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY | 王子厚 | 2017-11-23 | — | — | WO | disclosed |