Supplementary Table 1

Supplementary Table 1

SwissTargetPrediction Target Common Uniprot ChEMBL ID Target Class Probability* Known name ID actives (3D/2D) Protein phosphatase 2C PPM1B O75688 CHEMBL2845 Phosphatase 0.0714808399531 1 / 5 beta Protein-tyrosine PTPN1 P18031 CHEMBL335 Phosphatase 0.0714808399531 1 / 11 phosphatase 1B Serine/threonine PPP1CC P36873 CHEMBL4438 Phosphatase 0.0714808399531 1 / 5 protein phosphatase PP1-gamma catalytic subunit Serine/threonine- PPP5C Q9BPW0 CHEMBL1293265 Phosphatase 0.0619466223505 0 / 5 protein phosphatase Serine/threonine PPP1CA P62136 CHEMBL2164 Phosphatase 0.0619466223505 0 / 5 protein phosphatase PP1-alpha catalytic subunit Protein kinase C alpha PRKCA P17252 CHEMBL299 Kinase 0.0428942118511 0 / 29 Egl nine homolog 3 EGLN3 Q9H6Z9 CHEMBL5705 Enzyme 0.0428942118511 2 / 0 HMG-CoA reductase HMGCR P04035 CHEMBL402 Oxidoreductase 0.0428942118511 0 / 36 (by homology) Protein kinase C delta PRKCD Q05655 CHEMBL2996 Kinase 0.0428942118511 0 / 5 (by homology) 11-beta-hydroxysteroid HSD11B1 P28845 CHEMBL4235 Enzyme 0.0428942118511 0 / 12 dehydrogenase 1 UDP- UGT2B7 P16662 CHEMBL4370 Enzyme 0.0428942118511 0 / 6 glucuronosyltransferase 2B7 Carboxypeptidase A1 CPA1 P15085 CHEMBL2088 Protease 0.0428942118511 2 / 0 Mu opioid receptor OPRM1 P35372 CHEMBL233 Family A G 0.0428942118511 0 / 3 protein-coupled receptor Kappa Opioid receptor OPRK1 P41145 CHEMBL237 Family A G 0.0428942118511 0 / 18 protein-coupled receptor Mast cell CPA3 P15088 CHEMBL2645 Protease 0.0428942118511 2 / 0 carboxypeptidase A Carboxypeptidase B2 CPB2 Q96IY4 CHEMBL3419 Protease 0.0428942118511 1 / 0 isoform A Renin REN P00797 CHEMBL286 Protease 0.0428942118511 2 / 0 Cytochrome P450 19A1 CYP19A1 P11511 CHEMBL1978 Cytochrome 0.0428942118511 0 / 15 P450 DNA polymerase beta POLB P06746 CHEMBL2392 Enzyme 0.0 0 / 2 Hydroxycarboxylic acid HCAR2 Q8TDS4 CHEMBL3785 Family A G 0.0 6 / 0 receptor 2 protein-coupled receptor P-glycoprotein 1 ABCB1 P08183 CHEMBL4302 Primary active 0.0 0 / 12 transporter Solute carrier family 22 SLC22A6 Q4U2R8 CHEMBL1641347 Electrochemical 0.0 1 / 0 member 6 (by transporter homology) Dual specifcity CDC25A P30304 CHEMBL3775 Phosphatase 0.0 0 / 5 phosphatase Cdc25A Target Common Uniprot ChEMBL ID Target Class Probability* Known name ID actives (3D/2D) Serine/threonine- PIM1 P11309 CHEMBL2147 Kinase 0.0 2 / 0 protein kinase PIM1 Carbonic anhydrase XII CA12 O43570 CHEMBL3242 Lyase 0.0 9 / 0 Prolyl endopeptidase PREP P48147 CHEMBL3202 Protease 0.0 0 / 2 Glutamate FOLH1 Q04609 CHEMBL1892 Protease 0.0 7 / 0 carboxypeptidase II Hypoxia-inducible P4HTM Q9NXG6 CHEMBL3047 Enzyme 0.0 1 / 0 factor prolyl 4- hydroxylase Prostaglandin E PTGES O14684 CHEMBL5658 Enzyme 0.0 0 / 4 synthase Metabotropic glutamate GRM3 Q14832 CHEMBL2888 Family C G 0.0 0 / 1 receptor 3 protein-coupled receptor Metabotropic glutamate GRM2 Q14416 CHEMBL5137 Family C G 0.0 0 / 1 receptor 2 protein-coupled receptor Vitamin D receptor VDR P11473 CHEMBL1977 Nuclear 0.0 0 / 3 receptor Monoamine oxidase B MAOB P27338 CHEMBL2039 Oxidoreductase 0.0 5 / 0 Aldose reductase AKR1B1 P15121 CHEMBL1900 Enzyme 0.0 2 / 0 Kynurenine 3- KMO O15229 CHEMBL2145 Oxidoreductase 0.0 5 / 0 monooxygenase (by homology) Gamma-secretase PSEN2 P49810 CHEMBL2094135 Protease 0.0 0 / 5 PSENEN Q9NZ42 NCSTN Q92542 APH1A Q96BI3 PSEN1 P49768 APH1B Q8WW43 Aminopeptidase B RNPEP Q9H4A4 CHEMBL2432 Protease 0.0 2 / 0 Thrombin F2 P00734 CHEMBL204 Protease 0.0 0 / 11 Dihydroorotase CAD P27708 CHEMBL3093 Enzyme 0.0 2 / 0 G protein-coupled PTGDR2 Q9Y5Y4 CHEMBL5071 Family A G 0.0 3 / 0 receptor 44 protein-coupled receptor Transient receptor TRPV4 Q9HBA0 CHEMBL3119 Voltage-gated 0.0 0 / 1 potential cation channel ion channel subfamily V member 4 (by homology) Protein kinase C PRKCG P05129 CHEMBL2938 Kinase 0.0 0 / 3 gamma (by homology) Protein kinase C epsilon PRKCE Q02156 CHEMBL3582 Kinase 0.0 0 / 3 Protein kinase C eta PRKCH P24723 CHEMBL3616 Kinase 0.0 0 / 3 (by homology) Protein kinase C theta PRKCQ Q04759 CHEMBL3920 Kinase 0.0 0 / 4 Flap endonuclease 1 FEN1 P39748 CHEMBL5027 Enzyme 0.0 4 / 0 Farnesyl diphosphate FDPS P14324 CHEMBL1782 Transferase 0.0 1 / 0 synthase Lysine-specifc KDM4E B2RXH2 CHEMBL1293226 Eraser 0.0 2 / 0 demethylase 4D-like Aryl hydrocarbon AHR P35869 CHEMBL3201 Transcription 0.0 1 / 0 Target Common Uniprot ChEMBL ID Target Class Probability* Known name ID actives (3D/2D) receptor factor Serotonin 2b (5-HT2b) HTR2B P41595 CHEMBL1833 Family A G 0.0 0 / 2 receptor protein-coupled receptor Alpha-2a adrenergic ADRA2A P08913 CHEMBL1867 Family A G 0.0 0 / 1 receptor protein-coupled receptor Adrenergic receptor ADRA2C P18825 CHEMBL1916 Family A G 0.0 0 / 1 alpha-2 protein-coupled receptor Alpha-2b adrenergic ADRA2B P18089 CHEMBL1942 Family A G 0.0 0 / 1 receptor protein-coupled receptor Dopamine D1 receptor DRD1 P21728 CHEMBL2056 Family A G 0.0 0 / 1 protein-coupled receptor Dopamine D2 receptor DRD2 P14416 CHEMBL217 Family A G 0.0 0 / 1 protein-coupled receptor Alpha-1d adrenergic ADRA1D P25100 CHEMBL223 Family A G 0.0 0 / 1 receptor protein-coupled receptor Serotonin 2a (5-HT2a) HTR2A P28223 CHEMBL224 Family A G 0.0 0 / 2 receptor protein-coupled receptor Serotonin 2c (5-HT2c) HTR2C P28335 CHEMBL225 Family A G 0.0 0 / 2 receptor protein-coupled receptor Dopamine D3 receptor DRD3 P35462 CHEMBL234 Family A G 0.0 0 / 2 protein-coupled receptor Cytochrome P450 2D6 CYP2D6 P10635 CHEMBL289 Cytochrome 0.0 0 / 1 P450 Serotonin 6 (5-HT6) HTR6 P50406 CHEMBL3371 Family A G 0.0 0 / 2 receptor protein-coupled receptor Alpha-1a adrenergic ADRA1A P35348 CHEMBL229 Family A G 0.0 0 / 1 receptor (by protein-coupled homology) receptor Serotonin 1b (5-HT1b) HTR1B P28222 CHEMBL1898 Family A G 0.0 0 / 1 receptor (by protein-coupled homology) receptor Monoamine oxidase A MAOA P21397 CHEMBL1951 Oxidoreductase 0.0 2 / 0 Carbonic anhydrase VII CA7 P43166 CHEMBL2326 Lyase 0.0 3 / 0 Carbonic anhydrase III CA3 P07451 CHEMBL2885 Lyase 0.0 1 / 0 Carbonic anhydrase XIV CA14 Q9ULX7 CHEMBL3510 Lyase 0.0 3 / 0 Carbonic anhydrase IV CA4 P22748 CHEMBL3729 Lyase 0.0 1 / 0 Carbonic anhydrase VA CA5A P35218 CHEMBL4789 Lyase 0.0 2 / 0 Lysine-specifc KDM7A Q6ZMT4 CHEMBL2163177 Eraser 0.0 1 / 0 demethylase 7A/7B Monocarboxylate SLC16A1 P53985 CHEMBL4360 Electrochemical 0.0 3 / 0 transporter 1 (by transporter homology) Target Common Uniprot ChEMBL ID Target Class Probability* Known name ID actives (3D/2D) Carboxylesterase 2 CES2 O00748 CHEMBL3180 Enzyme 0.0 0 / 4 Heat shock protein HSP HSP90AA1 P07900 CHEMBL3880 Other cytosolic 0.0 1 / 0 90-alpha protein Estradiol 17-beta- HSD17B3 P37058 CHEMBL4234 Enzyme 0.0 0 / 12 dehydrogenase 3 Carbonic anhydrase VB CA5B Q9Y2D0 CHEMBL3969 Lyase 0.0 1 / 0 DNA excision repair ERCC5 P28715 CHEMBL4736 Other nuclear 0.0 2 / 0 protein ERCC-5 protein G-protein coupled GPR35 Q9HC97 CHEMBL1293267 Family A G 0.0 1 / 0 receptor 35 protein-coupled receptor D-amino-acid oxidase DAO P14920 CHEMBL5485 Enzyme 0.0 2 / 0 D-aspartate oxidase DDO Q99489 CHEMBL5887 Oxidoreductase 0.0 1 / 0 Carnitine O- CPT1A P50416 CHEMBL1293194 Enzyme 0.0 0 / 4 palmitoyltransferase 1, liver isoform (by homology) Glucose transporter SLC2A1 P11166 CHEMBL2535 Electrochemical 0.0 0 / 1 transporter Brain adenylate cyclase ADCY1 Q08828 CHEMBL2899 Enzyme 0.0 0 / 1 1 Lysine-specifc KDM4A O75164 CHEMBL5896 Eraser 0.0 1 / 0 demethylase 4A Lysine-specifc KDM4D Q6B0I6 CHEMBL6138 Eraser 0.0 1 / 0 demethylase 4D Lysine-specifc KDM4C Q9H3R0 CHEMBL6175 Eraser 0.0 1 / 0 demethylase 4C Protein FNTA P49354 CHEMBL2094108 Enzyme 0.0 0 / 5 farnesyltransferase FNTB P49356 Squalene synthetase FDFT1 P37268 CHEMBL3338 Enzyme 0.0 0 / 2 (by homology) T-cell protein-tyrosine PTPN2 P17706 CHEMBL3807 Phosphatase 0.0 0 / 2 phosphatase Aldehyde reductase AKR1A1 P14550 CHEMBL2246 Enzyme 0.0 1 / 0 (by homology) Platelet activating PTAFR P25105 CHEMBL250 Family A G 0.0 0 / 4 factor receptor (by protein-coupled homology) receptor Cyclooxygenase-1 PTGS1 P23219 CHEMBL221 Oxidoreductase 0.0 1 / 0 Serine-protein kinase ATM Q13315 CHEMBL3797 Kinase 0.0 0 / 1 ATM Nuclear receptor ROR- RORC P51449 CHEMBL1741186 Nuclear 0.0 0 / 1 gamma receptor Methionine METAP2 P50579 CHEMBL3922 Protease 0.0 0 / 4 aminopeptidase 2 Toll-like receptor (TLR7/ TLR9 Q9NR96 CHEMBL5804 Toll-like and Il-1 0.0 0 / 2 TLR9) receptors NAD-dependent SIRT2 Q8IXJ6 CHEMBL4462 Eraser 0.0 0 / 1 deacetylase sirtuin 2 Trypsin I PRSS1 P07477 CHEMBL209 Protease 0.0 0 / 8 Chymotrypsin C CTRC Q99895 CHEMBL2386 Protease 0.0 0 / 3 Target Common Uniprot ChEMBL ID Target Class Probability* Known name ID actives (3D/2D) 11-beta-hydroxysteroid HSD11B2 P80365 CHEMBL3746 Enzyme 0.0 0 / 2 dehydrogenase 2 (by homology) Carbonic anhydrase II CA2 P00918 CHEMBL205 Lyase 0.0 19 / 1 .

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