Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 3/20 | 0.34 |
| ▸ | JAK3 | P52333 | 2/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL7019238 | 0.82 | L3MBTL1 (0.40) | TP53ALDH1A1HTTPDK1NUDT1 | |
| SCHEMBL7016051 | 0.79 | LRRK2 (0.42) | ALDH1A1PDK1NUDT1L3MBTL1LRRK2 | |
| SCHEMBL4016987 | 0.74 | MAPT (0.39) | ALDH1A1HTTPDK1L3MBTL1LRRK2 | |
| SCHEMBL7019103 | 0.69 | ALDH1A1 (0.49) | NEK1ALDH1A1HTTJAK2JAK3 | |
| SCHEMBL29080497 | 0.69 | NEK1 (0.46) | NEK1NUDT1LRRK2JAK2JAK3 | |
| SCHEMBL161735 | 0.68 | ADORA2A (0.39) | ALDH1A1PDK1L3MBTL1LRRK2ADORA2A | |
| SCHEMBL14029857 | 0.66 | ADORA2A (0.43) | ALDH1A1PDK1L3MBTL1ADORA2ADYRK1A | |
| SCHEMBL2564796 | 0.65 | ADORA2A (0.42) | ALDH1A1HTTPDK1L3MBTL1ADORA2A | |
| SCHEMBL7655789 | 0.65 | DYRK1A (0.42) | ALDH1A1PDK1L3MBTL1ADORA2ADYRK1A | |
| SCHEMBL11832800 | 0.64 | CDK2 (0.39) | PDK1LRRK2JAK2JAK3PPARG |
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 |