Anyone knows bioinformatics techniques Which software or web servers are usefull for identifying potential biological targets of new bioactive compounds identified at lab?
You can go through these web based servers via Idtarget, Similarity Ensemble Approach, ReverseScreen3D etc. In fact I have read one beautiful article regarding the same. Please find the link http://link.springer.com/article/10.1007%2Fs12154-015-0135-3#page-1. Hope that it may fulfill your needs.
This is a very difficult task to recognize your biological target based on your ligand. There are various ways to list the potential targets (an experimental testing is almost necessary).
Inverse docking which involves docking a single ligand into the structures of all available structures present in the PDB corresponding to your host (say, human, Human PDB structures). Another approach is that you compare your own ligand with all the crystal ligands (co-crystallized with protein), if you get similarity, there might be a possibility to your ligand may interact with these "co-crystallized" proteins. There are also options to compare network/pathway based analysis.