Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 3/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 4/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.33 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.33 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.33 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2067727 | 0.80 | GAA (0.38) | GAAPLK1CASP1ADRA1AHDAC2 | |
| SCHEMBL2066800 | 0.77 | PLK1 (0.41) | GAAPLK1CASP1NUDT1 | |
| SCHEMBL4275479 | 0.77 | SIRT3 (0.48) | CDC7MKNK1MKNK2 | |
| SCHEMBL3769036 | 0.75 | GAA (0.41) | GAAPLK1SLC40A1MKNK1MKNK2 | |
| SCHEMBL3514318 | 0.71 | CHIA (0.37) | GAAPLK1ADRA1ABRD4ADRA1D | |
| SCHEMBL2067728 | 0.69 | PTPN11 (0.41) | GAAPLK1HDAC2HDAC8HDAC6 | |
| SCHEMBL3769034 | 0.68 | GAA (0.45) | GAAPLK1ADRA1ABRD4ADRA1D | |
| SCHEMBL21964163 | 0.68 | GAA (0.40) | GAAPLK1CASP1HDAC2HDAC8 | |
| SCHEMBL30674829 | 0.68 | KDM4C (0.49) | GAACASP1NUDT1PKN1PKN2 | |
| SCHEMBL13162016 | 0.68 | SIRT3 (0.61) | GAACASP1NUDT1PKN1PKN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2397462-A2 | Compounds, compositions and methods of treatment for heart failure | Cytokinetics, Inc. (US) | 2011-12-21 | — | — | EP | disclosed |
| US-4139623-A | HYPOTENSIVE AGENTS | C-G CORP. (US) | 1979-02-13 | — | — | US | disclosed |
| US-4027027-A | BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS | CIBA-GEIGY CORPORATION (US) | 1977-05-31 | — | — | US | disclosed |