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Table 2 A summary of the number of hits that were retrieved by USRCAT but not by using topological similarity as the criterion

From: USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints

Target Min Max Avg Target Min Max Avg Target Min Max Avg
AA2AR 1 26 5.92 FAK1 1 12 4.47 MP2K1 1 21 3.81
ABL1 1 22 5.37 FGFR1 1 16 6.31 NOS1 1 5 1.67
ACE 1 41 7.00 FKB1A 1 14 4.66 NRAM 1 15 5.58
ACES 1 42 6.41 FNTA 1 40 6.75 PA2GA 1 13 5.19
ADA 1 9 2.37 FPPS 1 10 3.96 PARP1 1 29 6.05
ADA17 1 35 8.24 GCR 1 21 4.23 PDE5A 1 18 3.99
ADRB1 1 21 3.71 GLCM 1 5 1.78 PGH1 1 9 2.71
ADRB2 1 19 3.89 GRIA2 1 8 2.55 PGH2 1 28 6.32
AKT1 1 33 8.15 GRIK1 1 10 1.90 PLK1 1 9 2.91
AKT2 1 10 3.28 HDAC2 1 25 7.29 PNPH 1 16 5.46
ALDR 1 10 2.23 HDAC8 1 33 9.11 PPARA 1 46 7.78
ANDR 1 22 4.70 HIVINT 1 7 2.20 PPARD 1 33 7.50
AOFB 1 4 1.57 HIVPR 1 50 8.74 PPARG 1 47 8.92
BACE1 1 23 3.81 HIVRT 1 18 4.21 PRGR 1 30 7.48
BRAF 1 11 3.04 HMDH 1 19 7.34 PTN1 1 9 2.19
CAH2 1 47 8.56 HS90A 1 8 3.04 PUR2 1 13 3.51
CASP3 1 13 3.55 HXK4 1 10 2.61 PYGM 1 5 2.11
CDK2 1 25 6.48 IGF1R 1 18 4.66 PYRD 1 13 4.38
COMT 1 5 2.69 INHA 1 5 2.16 RENI 1 14 4.38
CP2C9 1 5 1.80 ITAL 1 15 4.51 ROCK1 1 8 2.29
CP3A4 1 10 2.61 JAK2 1 6 1.94 RXRA 1 17 7.43
CSF1R 1 14 4.18 KIF11 1 10 3.66 SAHH 1 12 4.07
CXCR4 1 3 1.83 KIT 1 17 4.87 SRC 1 80 21.07
DEF 1 9 2.39 KITH 1 8 2.82 TGFR1 1 11 3.06
DHI1 1 19 4.16 KPCB 1 21 3.71 THB 1 22 6.10
DPP4 1 59 10.98 LCK 1 53 12.18 THRB 1 57 5.79
DRD3 1 75 12.35 LKHA4 1 15 4.46 TRY1 1 42 8.65
DYR 1 22 7.54 MAPK2 1 12 4.27 TRYB1 1 15 4.31
EGFR 1 56 9.08 MCR 1 6 2.31 TYSY 1 17 3.98
ESR1 1 67 21.07 MET 1 20 4.19 UROK 1 12 4.33
ESR2 1 63 20.80 MK01 1 6 2.24 VGFR2 1 48 10.42
FA10 1 29 5.51 MK10 1 7 1.85 WEE1 1 16 5.28
FA7 1 10 2.33 MK14 1 41 7.70 XIAP 1 25 6.32
FABP4 1 4 2.31 MMP13 1 39 8.14