data/benchmark_graph_nodes.csv

node,kind,score,chembl_id
SNCA,target,77.1,
alpha-synuclein aggregation and propagation,pathway,,
SNCA triplication/A53T iPSC dopaminergic neurons or alpha-synuclein PFF model,cell_model,,
"pS129 alpha-synuclein, aggregate load, synaptic/neurite phenotypes",assay,,
GLP1R,target,77.0,
metabolic and GLP-1 receptor signalling,pathway,,
dopaminergic neuron stress model with metabolic/inflammatory co-culture,cell_model,,
"neuronal survival, inflammatory cytokines, mitochondrial respiration",assay,,
LRRK2,target,76.9,
LRRK2 kinase and lysosomal stress,pathway,,
LRRK2 G2019S or R1441C iPSC-derived dopaminergic neurons,cell_model,,
"phospho-Rab10/Rab12, lysosomal morphology, neurite survival",assay,,
GBA1,target,75.5,
GBA1 lysosome/autophagy,pathway,,
GBA1-mutant iPSC dopaminergic neurons and macrophage/microglia-like cells,cell_model,,
"glucocerebrosidase activity, lysosomal pH, alpha-synuclein burden",assay,,
MAPK1,target,75.4,
MAP kinase activation,pathway,,
stress-response assay in neurons and microglia,cell_model,,
"phospho-ERK, inflammatory/stress response, toxicity counterscreen",assay,,
NOD2,target,74.0,
NOD1/2 inflammatory signalling,pathway,,
iPSC-derived microglia or monocyte-derived macrophages,cell_model,,
"NOD ligand response, cytokines, inflammasome-related markers",assay,,
IL17A,target,73.8,
IL-17 inflammatory signalling,pathway,,
microglia/astrocyte inflammatory co-culture,cell_model,,
"IL-17 response genes, cytokine release, neuronal stress markers",assay,,
TLR2,target,70.9,
innate immune signalling,pathway,,
iPSC-derived microglia and neuron-microglia co-culture,cell_model,,
"TNF/IL6/IL1B release, NF-kB activation, neuronal toxicity",assay,,
NTRK1,target,70.4,
NTRK/neurotrophin signalling,pathway,,
dopaminergic neuron survival/trophic support model,cell_model,,
"neurite length, survival, phospho-ERK/AKT",assay,,
SLC6A3,target,69.1,
dopaminergic synapse,pathway,,
iPSC dopaminergic neuron maturation/readout assay,cell_model,,
"DAT expression/function, dopamine uptake, neuron identity QC",assay,,
PINK1,target,61.2,
mitochondrial quality control,pathway,,
PINK1 knockout iPSC dopaminergic neurons,cell_model,,
"mitophagy reporter, mitochondrial membrane potential, ATP/ROS",assay,,
LAMP2,target,61.0,
lysosome/autophagy,pathway,,
iPSC dopaminergic neurons with lysosomal stress,cell_model,,
"LC3/p62 flux, lysosomal pH, autophagosome clearance",assay,,
MYD88,target,60.4,
iPSC-derived microglia inflammatory challenge,cell_model,,
"NF-kB reporter, cytokine release, rescue of co-culture toxicity",assay,,
NDUFS3,target,58.6,
mitochondrial oxidative phosphorylation,pathway,,
iPSC dopaminergic neuron mitochondrial stress model,cell_model,,
"Seahorse OCR, complex I activity, ATP/ROS",assay,,
PRKN,target,50.0,
PRKN knockout iPSC dopaminergic neurons,cell_model,,
"mitophagy reporter, ubiquitination, mitochondrial stress survival",assay,,
CHEMBL353333,compound,78.0,CHEMBL353333
CHEMBL211168,compound,75.0,CHEMBL211168
CHEMBL211095,compound,75.0,CHEMBL211095
GW278681X,compound,73.8,CHEMBL1794058
CHEMBL173427,compound,73.8,CHEMBL173427
CHEMBL175321,compound,73.8,CHEMBL175321
GW301789X,compound,72.8,CHEMBL1794056
CHEMBL27586,compound,72.3,CHEMBL27586
CHEMBL174088,compound,71.7,CHEMBL174088
CHEMBL172179,compound,71.4,CHEMBL172179
CHEMBL28394,compound,71.0,CHEMBL28394
CHEMBL281288,compound,70.4,CHEMBL281288
CHEMBL27336,compound,69.7,CHEMBL27336
CHEMBL3593932,compound,68.4,CHEMBL3593932
GW284408X,compound,68.2,CHEMBL1794057
CHEMBL311347,compound,68.0,CHEMBL311347
CHEMBL398714,compound,68.0,CHEMBL398714
CHEMBL2063787,compound,67.9,CHEMBL2063787
CHEMBL211883,compound,67.8,CHEMBL211883
FLUVOXAMINE,compound,67.7,CHEMBL814
CHEMBL3593904,compound,67.5,CHEMBL3593904
CHEMBL2113063,compound,67.2,CHEMBL2113063
CHEMBL445660,compound,67.0,CHEMBL445660
CHEMBL3593922,compound,66.7,CHEMBL3593922
CHEMBL3593930,compound,66.6,CHEMBL3593930
VILOXAZINE,compound,66.5,CHEMBL306700
CHEMBL3593928,compound,66.4,CHEMBL3593928
CHEMBL173594,compound,66.4,CHEMBL173594
CHEMBL610897,compound,66.2,CHEMBL610897
CHEMBL3593911,compound,66.0,CHEMBL3593911
CHEMBL435341,compound,66.0,CHEMBL435341
CHEMBL2115570,compound,65.4,CHEMBL2115570
DESIPRAMINE,compound,65.0,CHEMBL72
CHEMBL208881,compound,64.8,CHEMBL208881
CHEMBL2113064,compound,64.3,CHEMBL2113064
CHEMBL250091,compound,64.3,CHEMBL250091
CHEMBL249091,compound,63.8,CHEMBL249091
CHEMBL402918,compound,63.7,CHEMBL402918
CHEMBL1976750,compound,63.5,CHEMBL1976750
CHEMBL3593934,compound,63.4,CHEMBL3593934
CHEMBL377243,compound,63.4,CHEMBL377243
CHEMBL212317,compound,63.3,CHEMBL212317
CHEMBL2063785,compound,63.3,CHEMBL2063785
CHEMBL285342,compound,63.2,CHEMBL285342
CHEMBL3593903,compound,63.1,CHEMBL3593903
REBOXETINE,compound,62.8,CHEMBL14370
CHEMBL3593918,compound,62.8,CHEMBL3593918
CHEMBL120490,compound,62.7,CHEMBL120490
CHEMBL4872143,compound,62.6,CHEMBL4872143
CHEMBL399713,compound,62.1,CHEMBL399713
CHEMBL3593926,compound,62.1,CHEMBL3593926
CHEMBL3593905,compound,62.1,CHEMBL3593905
CHEMBL3349996,compound,62.0,CHEMBL3349996
CHEMBL3593902,compound,61.7,CHEMBL3593902
CHEMBL3593908,compound,61.6,CHEMBL3593908
GW442130X,compound,60.8,CHEMBL176857
CHEMBL2113062,compound,60.6,CHEMBL2113062
CHEMBL3593924,compound,59.8,CHEMBL3593924
CHEMBL94678,compound,59.4,CHEMBL94678
CHEMBL3593893,compound,59.2,CHEMBL3593893
CHEMBL3593915,compound,59.2,CHEMBL3593915
CHEMBL2079586,compound,59.1,CHEMBL2079586
CHEMBL3593909,compound,58.1,CHEMBL3593909
NISOXETINE,compound,53.2,CHEMBL295467
COCAINE,compound,53.0,CHEMBL370805
CHEMBL176544,compound,52.6,CHEMBL176544
NINTEDANIB,compound,52.5,CHEMBL502835
CHEMBL3593916,compound,51.9,CHEMBL3593916
CHEMBL377040,compound,51.8,CHEMBL377040
CHEMBL3593913,compound,51.8,CHEMBL3593913
CHEMBL377444,compound,51.6,CHEMBL377444
CHEMBL2063797,compound,51.5,CHEMBL2063797
CHEMBL3593901,compound,51.5,CHEMBL3593901
CHEMBL3593923,compound,51.4,CHEMBL3593923
CHEMBL3593931,compound,51.2,CHEMBL3593931
CHEMBL3593910,compound,51.1,CHEMBL3593910
CHEMBL2063798,compound,50.9,CHEMBL2063798
CHEMBL250747,compound,50.8,CHEMBL250747
CHEMBL369490,compound,50.7,CHEMBL369490
GW275616X,compound,50.6,CHEMBL1794059