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 |