Relationship | Entity | Node types | Relationship type | Database | The node numbers | The number of relationships |
---|---|---|---|---|---|---|
Intra-relationships | Drug | Name (\(\varphi\)) | – | DrugBank [35] | 410 | – |
Chemical Structure (\(C\)) | has_chemical_substructure | PubChem [31] | 881 | 52,979 | ||
Target Protein (\(T\)) | has_target has_interaction | DrugBank [35] STRING [36] | 1506 | 2122 6909 | ||
Protein Domain (\(D\)) | has_domain has_domain_target | UniProt [37] | 1070 | 1828 2804 | ||
Side Effect (\(S\)) | has_side_effect | SIDER4.1 [38] | 5734 | 64,121 | ||
ATC Code (\(A\)) | has_ATC_code | SIDER4.1 [38] | 1087 | 2958 | ||
Disease | Name (\(\rho\)) | – | DisGeNET [39] | 141 | – | |
Type (\({\mathbb{T}}\)) | has_type | DisGeNET [39] | 3 | 141 | ||
Class (\({\mathbb{C}}\)) | has_class | DisGeNET [39] | 22 | 9440 | ||
Gene (\({\mathbb{G}}\)) | has_gene has-gene-interaction | DisGeNET [39] STRING [36] | 3561 | 5891 16,870 | ||
Semantic (\({\mathbb{S}}\)) | has-semantic-type | DisGeNET [39] | 5 | 141 | ||
Inter-relationships | Target-Gene | has_encoded | UniProt [37] | Â | 633 | |
Drug-Disease | has_treatment | repoDB [40] | Â | 748 |