Drug discovery method

A method of obtaining information about a chemically active area of a target molecule, comprising:

• providing a set of gauge molecules;
• causing said target to singly interact with each of a plurality of gauges of said set of gauges, said plurality comprising at least 5,000 gauges;
• assaying said interaction of said gauges with said target to assay binding of said gauges to said target, so as to obtain at least 5 gauges which bind to said target;
• and
• analyzing a structure of said target bound to each of said at least 5 gauges;
• and
• finding a set of binding points in said target which bind to the same chemical type of moiety in at least two of said at least 5 gauges;
• and
• identifying binding points in set said of binding points in said target as binding points which bind to the same chemical type of moiety in at least two of said at least 5 gauges;
• and
• reconstructing a spatial map of identified binding points, said spatial map comprising at least 4 identified binding points in said target, each of said identified binding points being identified as binding to the same chemical type of moiety in at least two of said gauges,
• to thereby obtain information about said chemically active area,
• wherein said plurality of gauges is selected so as to comprise triangles of moieties capable of binding to the 3-point pharmacophores in at least 40% of a triangle space which defines all possible 3-point pharmacophores defined by a triplet of distances that form a triangle, each distance being in a range of 2-12 angstrom, and by a triplet of chemical binding point types for the triangle vertices, each chemical binding point type being selected from the group consisting of acid, base, hydrophobic, hydrogen-bond donor, hydrogen-bond acceptor, and aromatic.