Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 3/20 | 0.50 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.42 |
| ▸ | CCNC | P24863 | 2/20 | 0.41 |
| ▸ | CDK8 | P49336 | 2/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.38 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL30308690 | 0.82 | DYRK1A (0.65) | DYRK1AUHRF1MAP4K4CCNCCDK8 | |
| SCHEMBL1896511 | 0.82 | DYRK1A (0.65) | DYRK1AUHRF1MAP4K4CCNCCDK8 | |
| Iodide SCHEMBL9618570 | 0.80 | DYRK1A (0.63) | DYRK1AUHRF1MAP4K4CCNCCDK8 | |
| SCHEMBL4244577 | 0.78 | DAO (0.44) | CNR1 | |
| SCHEMBL5226951 | 0.77 | MAPT (0.50) | DYRK1ACYP3A4CYP2D6 | |
| SCHEMBL18406785 | 0.75 | DYRK1A (0.53) | DYRK1AUHRF1MAP4K4CCNCCDK8 | |
| SCHEMBL20288145 | 0.74 | PIK3CD (0.44) | DYRK1APIK3CBPDE4DPDE10AWNT3A | |
| SCHEMBL31119862 | 0.74 | DYRK1A (0.62) | DYRK1AUHRF1MAP4K4CCNCCDK8 | |
| SCHEMBL8964255 | 0.74 | DYRK1A (0.62) | DYRK1AUHRF1MAP4K4CCNCCDK8 | |
| SCHEMBL27971540 | 0.73 | WNT3A (0.52) | DYRK1AUHRF1MAP4K4CCNCCDK8 |
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-2018108156-A1 | ROCK INHIBITOR AND APPLICATION THEREOF | 成都先导药物开发有限公司 | 2018-06-21 | — | — | WO | disclosed |