The invention relates to a high-
throughput retrieval method for
drug targets, and belongs to the field of
bioinformatics. The high-
throughput retrieval method includes the steps that a
drug and target complex serves as reference, a
drug combining bag is defined, all fragments in the combining bag are represented with
protein structural fingerprints, and the
protein structural fingerprints include
amino acid sequences,
protein folding shape codes, physicochemical properties and vector
coupling; the digital drug combining bag is input, a global known
protein structure database is retrieved to perform
fingerprint comparison and quantitative evaluation, and protein structures are arrayed in the sequence of
fingerprint similarity from high to low;
structural protein is selected as possible target spot regions, wherein similarity scores of the
protein folding codes and similarity scores of the
amino acid physicochemical properties reach top two thousand at the same time, and possible
target protein of drugs is analyzed and predicted. The high-
throughput retrieval method can be applied to
secondary development and research of the drugs, and new effects of the approved clinic drugs are developed by finding the new targets.