Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27558822 | 0.78 | HSP90AA1 (0.43) | HSP90AA1P2RX7RXRAGRIN1GRIN2B | |
| SCHEMBL8138898 | 0.78 | ALDH1A1 (0.39) | HSP90AA1 | |
| SCHEMBL27772313 | 0.78 | HSP90AA1 (0.38) | HSP90AA1P2RX7RXRAGRIN1GRIN2B | |
| SCHEMBL9963206 | 0.75 | HSP90AA1 (0.35) | HSP90AA1RXRAGRIN1GRIN2B | |
| SCHEMBL27958375 | 0.75 | — | — | |
| SCHEMBL11196649 | 0.74 | HSP90AA1 (0.46) | HSP90AA1P2RX7CYP19A1 | |
| SCHEMBL27431126 | 0.72 | RXRA (0.35) | HSP90AA1P2RX7RXRAGRIN1GRIN2B | |
| SCHEMBL5883850 | 0.71 | — | — | |
| SCHEMBL8140461 | 0.70 | — | — | |
| SCHEMBL29445955 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106243090-A | As 2 (phenyl or the pyridine 3 base) aminopyridine derivative for treating Parkinsonian kinases LRRK2 regulator | 霍夫曼-拉罗奇有限公司 | 2016-12-21 | — | — | CN | disclosed |
| CN-103958503-B | 2- (phenyl or pyridin-3-yl) aminopyrimidine derivatives as kinase LRRK2 modulators for the treatment of Parkinson's disease | 霍夫曼-拉罗奇有限公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-103958498-B | Aminopyrimidine derivatives as LRRK2 modulators | 霍夫曼-拉罗奇有限公司 | 2016-09-07 | — | — | CN | disclosed |
| CN-105837519-A | AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS | 霍夫曼-拉罗奇有限公司 | 2016-08-10 | — | — | CN | disclosed |
| CN-105801493-A | 2-phenylaminopyrimidine derivatives as kinase LRRK2 modulators for the treatment of Parkinson's disease | 霍夫曼-拉罗奇有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-103313978-B | Pyrazole aminopyrimidine derivatives as LRRK2 modulators | HOFFMANN LA ROCHE | 2015-04-15 | — | — | CN | disclosed |