first draft to show similar drugbank compounds

WIP on #96


Former-commit-id: ae2cb02a8bd669efa51c98bbf4d759cd78519434

ippisite/ippidb/models.py

@@ -496,7 +496,11 @@ class Compound(AutoFillableModel):
         return the all PPI families for PPIs involved in the compound activity of the compound
         """
         return list(set([ca.ppi.family for ca in self.compoundaction_set.all()]))
-
+    
+    @property
+    def sorted_similar_drugbank_compounds(self):
+        return self.drugbankcompoundtanimoto_set.order_by('-tanimoto')
+        
     def autofill(self):
         # compute InChi and InChiKey
         self.inchi = smi2inchi(self.canonical_smile)

ippisite/ippidb/templates/compound_card.html

@@ -201,6 +201,26 @@
               
           </div>
           <div class="tab-pane fade" id="drugsimilarity" role="tabpanel" aria-labelledby="drugsimilarity-tab">
+              <table class="table table-striped">
+                  <thead>
+                    <tr>
+                      <th title="Tanimoto index">Ta</th>
+                      <th>Structure</th>
+                      <th>Name</th>
+                      <th>Drugbank ID</th>
+                    </tr>
+                  </thead>
+                  <tbody>
+                    {% for dbct in compound.sorted_similar_drugbank_compounds %}
+                    <tr>
+                        <td>{{ dbct.tanimoto }}</td>
+                        <td>{% include "compound_smiles_draw.html" with id=dbct.drugbank_compound.id smile=dbct.drugbank_compound.canonical_smiles %}</td>
+                        <td>{{ dbct.drugbank_compound.common_name }}</td>
+                        <td><a target="_blank" href="https://www.drugbank.ca/drugs/{{ dbct.drugbank_compound.id }}">{{ dbct.drugbank_compound.id }}</a></td>
+                      </tr>
+                      {% endfor %}
+                  </tbody>
+              </table>
           </div>
         </div>
     </div>