Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.75 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.75 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.75 |
| ▸ | FER | P16591 | 1/20 | 0.75 |
| ▸ | LTK | P29376 | 1/20 | 0.75 |
| ▸ | CDK8 | P49336 | 1/20 | 0.75 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.75 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | MAOB | P27338 | 1/20 | 0.61 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.55 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.55 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2420711 | 0.91 | LRRK2 (0.90) | LRRK2ACVR1PDGFRAFERLTK | |
| SCHEMBL366728 | 0.91 | — | — | |
| SCHEMBL1368292 | 0.86 | LRRK2 (1.00) | LRRK2ACVR1PDGFRAFERLTK | |
| SCHEMBL28740919 | 0.84 | LRRK2 (0.72) | LRRK2ACVR1PDGFRAFERLTK | |
| Hydrochloric Acid SCHEMBL6299954 | 0.84 | LRRK2 (0.95) | LRRK2ACVR1PDGFRAFERLTK | |
| Glycolic Acid SCHEMBL6888173 | 0.79 | LRRK2 (0.64) | LRRK2ACVR1PDGFRAFERLTK | |
| SCHEMBL1917374 | 0.77 | LRRK2 (0.61) | LRRK2ACVR1PDGFRAFERLTK | |
| SCHEMBL11485594 | 0.77 | LRRK2 (0.73) | LRRK2ACVR1PDGFRAFERLTK | |
| Isoindigo SCHEMBL12386233 | 0.76 | LRRK2 (0.67) | LRRK2ACVR1PDGFRAFERLTK | |
| Isatin SCHEMBL34016 | 0.76 | MAOA (1.00) | LRRK2ACVR1PDGFRAFERLTK |
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-106279101-B | Benzopyrazolopyridines, pharmaceutical compositions comprising same and use thereof | 中国科学院上海药物研究所 | 2020-03-17 | — | — | CN | disclosed |