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 | Â | Â | Â | Â |