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Table 3 High value of adjust residual and WoE for drug protein substructures interactions

From: Discovering patterns in drug-protein interactions based on their fingerprints

Drug sub ref.

Drug substructures and description

Protein dom. ref

Adjust residual

Weight of evidence

...

...

...

...

...

SUB17

>=8N

PF00156

4.303

2.034

  

PF00206

3.137

2.359

  

PF00583

3.279

2.447

  

PF00858

5.047

2.12

...

...

...

...

...

SUB33

>=1 S

PF00017

5.553

4.118

  

PF00018

3.073

3.506

  

PF00069

2.363

2.193

  

PF00169

23.046

7.078

...

...

...

...

...

SUB190

>=2 unsaturated non-aromatic nitrogen-containing ring size 6

PF00019

8.96

6.376

  

PF00020

5.22

4.874

  

PF00071

7.161

4.254

  

PF00432

9.429

5.545

...

...

...

...

...

SUB235

>=2 saturated or aromatic carbon-only ring size 8

PF00020

12.08

7.214

  

PF00091

5.49

4.089

  

PF00531

6.814

5.599

  

PF02180

14.706

6.787

...

...

...

...

...

SUB334

C(~C) (~C) (~C) (~C)

PF00133

3.605

1.992

  

PF02145

2.081

2.669

  

PF02188

2.081

2.669

  

PF08264

3.301

1.998

...

...

...

...

...

SUB428

C(#C)(-H)

PF00039

5.319

4.926

  

PF00048

1.582

2.094

  

PF00104

11.315

2.849

  

PF00105

11.37

2.859

...

...

...

...

...

SUB695

O=C-C-C-C-C-N

PF00120

8.354

4.686

  

PF04960

9.591

4.671

...

...

...

...

...

SUB707

O=C-C-C-C-C(N)-C

PF00040

2.742

3.236

  

PF00091

29.218

5.237

  

PF00183

4.55

3.619

  

PF00340

4.708

4.597

  

PF00341

2.886

3.357

...

...

...

...

...

   

29.218

7.214

   

1.582

1.992