| No. | Active compounds | OB (%) | DL | Targets |
| 1 | Eupatin | 50.8 | 0.41 | XDH, CYP1B1, AKR1B1, PLG, OPRD1, MAPT, KDM4E, GPR35, AVPR2, TOP2A, CYP19A1, DRD4, GLO1, MPO, PIK3R1, DAPK1, PYGL, CA3, ABCC1, PLK1, CA6, PKN1, CSNK2A1, NEK2, CAMK2B, ALK, AKT1, NEK6, PLA2G1B, APEX1, NUAK1, AKR1C2, AKR1C1, AKR1C3, AKR1C4, AKR1A1, CA2, CA12, ALOX5, GSK3B, HSD17B2, ABCG2, CCNB1, CCNB3, CCNB2, CDK1, CDK6, ARG1, ADORA3, BACE1, APP, CA7, ADORA1, MMP3, MMP2, NOX4, EGFR, PIK3CG, MAOA, TYR, AHR, ESRRA, MET, FLT3, ADORA2A, KDR, IGF1R, INSR, SRC, PTK2, CA1, CA13, MMP13, CA4, MMP9, ALOX12, AURKB, ST6GAL1, CDK2, HSD17B1, CA9, PTPRS, MPG, SLC22A12, AXL, ABCB1, ODC1, PFKFB3, F2, CA14, CA5A, CD38, AKR1B10, TNKS2, TNKS, TOP1, MYLK, ALOX15, PIM1, CXCR1, PLA2G2A, ACHE, SYK | 2 | Mutatochrome | 48.64 | 0.61 | ALOX5 | 3 | Physciondiglucoside | 41.65 | 0.63 | ESR1, TNNC1, TNNT2, TNNI3, EPHX2, SLC5A1, CA14, LGALS3, LGALS9, SLC5A2, CHIA, SLC29A1, ADORA2A, CYP19A1, ADORA3, MME, ECE1, LGALS4, LGALS8, SLC5A4, ACE, HRAS, ADORA2B, TYR | 4 | Procyanidin B-5,3′-O-gallate | 31.99 | 0.32 | MMP2, MAPT, DYRK1A, KCNH2, MAPK14, TERT, PGD, ST3GAL3, FUT7, BCL2, FUT4, STAT1, SQLE, BACE1, APP, MMP14, MET, ABCB1, DNMT1, MMP9, GABRA1, GABRB2, GABRG2, MMP12, PGF, VEGFA, HIF1A, CA2, CA1, CA9, ABCC1, ABCG2, PTGS1, CYP19A1, KLK1, KLK2, POLB, PLA2G2A, PLA2G5, PLA2G10, CYP1B1 | 5 | Rhein | 47.07 | 0.28 | FTO, CYP19A1, ELANE, FNTA, FNTB, PTP4A3, CSNK2A1, ESR2, PIM1, CASP3, LDHA, LDHB, ERN1, ESR1, CDC25 B, BCL2, MCL1, AMPD3, ECE1, LIMK1, F2, SLC13A5, LCK, IGFBP3, GRK6, EGLN1, MME, CDK2, HNF4A, MAPK8, OGA, GPR35, ADA, ACLY, CASP6, CASP7, CASP8, CASP1, CASP2, NOX4, CAMKK2, ERBB2, SLC6A3, EGFR | 6 | Sennoside E_qt | 50.69 | 0.61 | FTO, ELANE, AKR1B1, CYP19A1, PIM1, CA2, CA1, TOP1, SELL, SELE, SELP, PTP4A3, CSNK2A1, BMP1, AMPD3, HSP90AB1, ACE, MME, PDE5A, MMP9, MMP1, MMP2, MMP8, ESR1, ESR2, HSP90AA1, KDM4C, PTGDR2, ECE1, PTGER1, PTGER2, IKBKB, PTGER3, AMPD2, PIK3CA, FNTA, FNTB, KDM3A, HCAR2, ITGB1, AGTR1, LTA4H, ITGB7, ITGA4, HTR2B, RAF1, SLC5A2, BRAF, EGLN1, TTL, MAPK8, PTGFR, MMP10, MMP12, TKT, FOLH1, RXRA, HNF4A, FLT1, KDM4A, MMP14, CXCR2, PYGL, PNP, CASP3, PTGER4, IGFBP3, MKNK2, EGFR, ITGAV, ITGB3, ADAMTS4, CASP6, CASP7, CASP8, CASP1, F7, CREBBP, FYN, OPRM1, IGFBP5, TTR, CHEK1, WEE1, KIT, CTSD, DYRK2, GSK3B, DPP4, GSK3A, AKR1B10, PDE4B, AMPD1, PDE4D, ROCK1, SCN9A, PTGIR, P2RX3, KCNH2, ACLY, CDK5, BCL2L2 | 7 | Torachrysone-8-O-beta-D-(6′-oxayl)-glucoside | 43.02 | 0.74 | EPHX2, TYR, SRD5A1, TDP1, SLC5A2, PTPN1, SLC5A1, SLC5A4, CA14, ADORA2A, SLC29A1, HK2, HK1, AKR1B1, PYGL, ADORA3, EIF4H, PABPC1, PIM1, FUCA1, ADORA2B, NR4A1, IGFBP3 | 8 | Toralactone | 46.46 | 0.24 | PTGS2, GUSB, SERPINE1, FADS1, CA1, CA12, CA9, IMPDH2, RET, QPCT, TYMS, PLAU, PDE5A, PTK2B, ABCB1, MTOR, PIK3CD, PIK3CB, HCK, PIK3CA, DYRK1B, JAK3, PLA2G7, ILK, TUBB1, TUBB3, RPS6KA3, AKR1B1, EGLN1, FLT1, DHFR, EPHB2, MDM2, MAOA, RAF1, FGFR1, CXCR2, MAOB, LNPEP | 9 | Emodin-1-O-beta-D-glucopyranoside | 44.81 | 0.8 | ESR1, TNNC1, TNNT2, TNNI3, EPHX2, SLC5A4, SLC5A2, SLC5A1, CA7, CA4, ELANE, SLC29A1, SLC28A3, ACHE, NQO2, PTPN1 | 10 | Sennoside D_qt | 61.06 | 0.61 | TNNC1, TNNT2, TNNI3, ESR1 | 11 | Daucosterol_qt | 35.89 | 0.7 | IL2, STAT3, APH1B, PSEN1, APH1A, NCSTN, PSENEN, PSEN2, PTAFR, MET, S1PR3, S1PR1, FLT1, RBP4, PPM1B, PPP1CC, PPP2CA, PPP2R5A, HSD11B2, S1PR5, S1PR4 | 12 | Palmidin A | 32.45 | 0.65 | PTP4A3, PIM1, CSNK2A1, FTO, ESR1, ESR2, MAP3K14, MAP3K7, HSP90AA1, HDAC6, HDAC2, HDAC1, HMGCR, CXCR2, CXCR1, RXRA, TOP1, PARP1, PDK1, HNF4A, PDE5A, KIT, FLT3, KDR, MAP2K2, MAPKAPK5, TYK2, MAPK1, ALK, MMP9, MMP1, MMP2, MMP8, ACVRL1, ADORA3, MMP13, MMP3, ADAM17, CTSV, PLK4, CDK5, MKNK2, AXL, SORD, CDK2, CCND1, CDK4, SYK, GSK3B, GSK3A, MCL1, MMP7, MMP12, ELANE, ADCY1, MAP2K7, MAP2K1, RELA, FLT1, PDGFRB, FLT4, PDGFRA, MAPK3, PLG, APH1B, PSEN1, APH1A, NCSTN, PSENEN, PSEN2, PLAU, IRAK4, PRKCB, CCNB2, CCNB1, CDK1, CCNB3, CCNA2, CCNA1, RPS6KA3, AKR1B1, PDE4B, PIK3CD, PIK3CB, PIK3CG, MAP3K1, PIK3CA, IMPDH1, AURKA, P2RX7, CA2, OPRK1, CA1, CA12, CA9, JUN, P2RX3, PRKCD, NTRK1, GYS1, BACE1, LCK, CA4, WEE1, CCNE1, BCHE, CCNH, CDK7, CCNT1, CDK9, DYRK1A | 13 | Beta-sitosterol | 36.91 | 0.75 | AR, HMGCR, CYP51A1, NPC1L1, NR1H3, CYP19A1, CYP17A1, RORC, ESR1, ESR2, SREBF2, SHBG, SLC6A2, CYP2C19, RORA, PTPN1, BCHE, SERPINA6, SERPINA6, SLC6A4, CHRM2, VDR, ACHE, G6PD, NR1H2, GLRA1, CES2, PTGER1, PTGER2, HSD11B1, PTGES, CDC25 A, PPARA, PPARD, DHCR7, SQLE, PTPN6, NR1I3, FDFT1, SIGMAR1, NOS2, NR3C1, PPARG, CDC25 B, UGT2B7, HSD11B2, POLB | 14 | Aloe-emodin | 83.38 | 0.24 | PTGS1, PTGS2, HSP90AB1, HSP90AA1, PIK3CG, NCOA2, PKIA, AKR1B1, IGHG1, CDKN1A, EIF6, BAX, TNF, CASP3, TP53, FASN, PRKCA, PRKCE, CDK1, PCNA, MYC, IL1B, PRKCD, CCNB1 | 15 | Gallic acid-3-O-(6′-O-galloyl)-glucoside | 30.25 | 0.67 | TDP1, SERPINE1, PTPN2, BACE1, ADORA1, AKR1B1, ASNS, AMY1A | 16 | (-)-Catechin | 49.68 | 0.24 | PTGS1, ESR1, PTGS2, HSP90AB1, HSP90AA1, DPEP1, NCOA2, FASN, PPARG, KLF7 |
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