Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTK | P33981 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7015802 | 0.77 | NEK1 (0.39) | PDK1ADORA2AJAK3LRRK2JAK2 | |
| SCHEMBL4016987 | 0.75 | MAPT (0.39) | PDK1ADORA2AADORA1LRRK2SMN1; SMN2 | |
| SCHEMBL7016051 | 0.72 | LRRK2 (0.42) | PDK1LRRK2 | |
| SCHEMBL7019238 | 0.69 | L3MBTL1 (0.40) | PDK1ADORA2AADORA1LRRK2SMN1; SMN2 | |
| SCHEMBL14004647 | 0.69 | ADORA2A (0.37) | PDK1PDK2PDK3PDK4ADORA2A | |
| SCHEMBL161735 | 0.69 | ADORA2A (0.39) | PDK1PDK2PDK3PDK4ADORA2A | |
| SCHEMBL7019102 | 0.68 | JAK3 (0.35) | TTKADORA2AADORA1JAK3LRRK2 | |
| SCHEMBL14029857 | 0.67 | ADORA2A (0.43) | PDK1PDK2PDK3PDK4ADORA2A | |
| SCHEMBL7655789 | 0.66 | DYRK1A (0.42) | PDK1PDK2PDK3PDK4ADORA2A | |
| SCHEMBL2564796 | 0.66 | ADORA2A (0.42) | PDK1ADORA2AADORA1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |