Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 16/20 | 0.76 |
| ▸ | SRPK3 | Q9UPE1 | 1/20 | 0.57 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.54 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.54 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6918063 | 1.00 | LRRK2 (0.76) | LRRK2SRPK3IKBKETBK1SGMS2 | |
| SCHEMBL25951821 | 0.93 | LRRK2 (0.65) | LRRK2SRPK3IKBKETBK1 | |
| SCHEMBL1646947 | 0.90 | LRRK2 (0.61) | LRRK2IKBKETBK1GSK3BDYRK1A | |
| SCHEMBL6916617 | 0.88 | LRRK2 (0.83) | LRRK2SRPK3SGMS2 | |
| SCHEMBL28347793 | 0.88 | LRRK2 (0.57) | LRRK2SRPK3IKBKETBK1 | |
| SCHEMBL1648915 | 0.87 | LRRK2 (0.82) | LRRK2SRPK3IKBKETBK1SGMS2 | |
| SCHEMBL1647667 | 0.87 | LRRK2 (1.00) | LRRK2SRPK3SGMS2 | |
| SCHEMBL10322929 | 0.85 | LRRK2 (0.63) | LRRK2SRPK3SGMS2 | |
| SCHEMBL6917908 | 0.84 | LRRK2 (0.67) | LRRK2SRPK3SGMS2 | |
| SCHEMBL1646768 | 0.84 | LRRK2 (0.51) | LRRK2IKBKETBK1GSK3BDYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-110678182-B | Pharmaceutical composition containing a compound capable of penetrating the blood-brain barrier as an active ingredient for preventing or treating brain cancer | 大邱庆北尖端医疗产业振兴财团 | 2022-08-23 | — | — | CN | disclosed |