Index	Target	Method	Cluster identifiers	# Identified clusters
1	ACE	DOCK	[6, 9, 17]	3
2	ACE	ActDock	[12, 13, 17, 18]	4
3	ACE	ChemAxCFp	[6, 8, 12, 13, 16, 17, 18]	7
4	ACE	PathFp	[1, 6, 8, 12, 16, 18]	6
5	ACE	SphereFp	[6, 8, 10, 13, 16]	5
6	ACE	TopPPHist	[6, 8, 9, 10, 12, 14, 16, 18]	8
7	ACE	FragFp	[6, 8, 9, 10, 11, 12, 14, 16, 18]	9
8	ACE	Flexophore	[6, 8, 10, 12, 13, 14, 16, 17]	8
9	AChE	DOCK	[]	0
10	AChE	ActDock	[11, 15]	2
11	AChE	ChemAxCFp	[10, 12, 14]	3
12	AChE	PathFp	[9, 10, 12, 14]	4
13	AChE	SphereFp	[5, 9, 10, 11, 12, 13, 14]	7
14	AChE	TopPPHist	[10, 11, 12, 14]	4
15	AChE	FragFp	[10, 12, 14]	3
16	AChE	Flexophore	[10, 12, 14]	3
17	ADA	DOCK	[4, 7]	2
18	ADA	ActDock	[]	0
19	ADA	ChemAxCFp	[2, 6, 8]	3
20	ADA	PathFp	[2, 3, 4]	3
21	ADA	SphereFp	[2, 3]	2
22	ADA	TopPPHist	[]	0
23	ADA	FragFp	[2, 6, 8]	3
24	ADA	Flexophore	[]	0
25	ALR2	DOCK	[8, 9]	2
26	ALR2	ActDock	[12]	1
27	ALR2	ChemAxCFp	[7]	1
28	ALR2	PathFp	[7]	1
29	ALR2	SphereFp	[7]	1
30	ALR2	TopPPHist	[7]	1
31	ALR2	FragFp	[7]	1
32	ALR2	Flexophore	[7]	1
33	AmpC	DOCK	[]	0
34	AmpC	ActDock	[]	0
35	AmpC	ChemAxCFp	[2]	1
36	AmpC	PathFp	[2]	1
37	AmpC	SphereFp	[2]	1
38	AmpC	TopPPHist	[2, 6]	2
39	AmpC	FragFp	[2]	1
40	AmpC	Flexophore	[2]	1
41	AR	DOCK	[1, 2, 3]	3
42	AR	ActDock	[]	0
43	AR	ChemAxCFp	[3]	1
44	AR	PathFp	[3]	1
45	AR	SphereFp	[3]	1
46	AR	TopPPHist	[3]	1
47	AR	FragFp	[3]	1
48	AR	Flexophore	[3]	1
49	CDK2	DOCK	[11, 14, 19, 25]	4
50	CDK2	ActDock	[]	0
51	CDK2	ChemAxCFp	[3, 21, 22, 30]	4
52	CDK2	PathFp	[3, 21, 22, 30]	4
53	CDK2	SphereFp	[3, 16, 21, 22, 30]	5
54	CDK2	TopPPHist	[7, 16, 19, 21]	4
55	CDK2	FragFp	[3, 20]	2
56	CDK2	Flexophore	[16, 21, 23]	3
57	COMT	DOCK	[]	0
58	COMT	ActDock	[]	0
59	COMT	ChemAxCFp	[]	0
60	COMT	PathFp	[]	0
61	COMT	SphereFp	[]	0
62	COMT	TopPPHist	[2]	1
63	COMT	FragFp	[]	0
64	COMT	Flexophore	[1]	1
65	COX-1	DOCK	[4, 5]	2
66	COX-1	ActDock	[]	0
67	COX-1	ChemAxCFp	[3, 4]	2
68	COX-1	PathFp	[3, 4]	2
69	COX-1	SphereFp	[1, 4, 5]	3
70	COX-1	TopPPHist	[4]	1
71	COX-1	FragFp	[3, 4, 5]	3
72	COX-1	Flexophore	[3, 4, 5, 7]	4
73	COX-2	DOCK	[3, 7, 10, 17, 19, 27]	6
74	COX-2	ActDock	[7, 10, 14, 17, 22, 40]	6
75	COX-2	ChemAxCFp	[7, 17, 19, 33, 37]	5
76	COX-2	PathFp	[7, 17, 33, 37]	4
77	COX-2	SphereFp	[7, 17, 19, 33, 37]	5
78	COX-2	TopPPHist	[7, 10, 16, 17, 22, 30, 33, 34, 39]	9
79	COX-2	FragFp	[7, 17, 19]	3
80	COX-2	Flexophore	[7, 10, 17, 19, 33, 34, 37]	7
81	DHFR	DOCK	[2, 3, 5, 8]	4
82	DHFR	ActDock	[1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14]	14
83	DHFR	ChemAxCFp	[3, 8, 9, 10, 11, 14]	6
84	DHFR	PathFp	[3, 8, 9, 10, 11, 12, 14]	7
85	DHFR	SphereFp	[3, 6, 9, 10, 11, 12, 13, 14]	8
86	DHFR	TopPPHist	[2, 3, 9, 14]	4
87	DHFR	FragFp	[3, 14]	2
88	DHFR	Flexophore	[1, 2, 3, 5, 6, 8, 10, 11, 14]	9
89	EGFr	DOCK	[5, 6, 14, 18, 26]	5
90	EGFr	ActDock	[2, 9, 19]	3
91	EGFr	ChemAxCFp	[2, 3, 4, 9, 16, 17, 18, 19, 21, 22, 23, 25, 33, 37, 39, 40]	16
92	EGFr	PathFp	[1, 2, 3, 4, 9, 10, 11, 13, 15, 16, 17, 19, 21, 23, 25, 39, 40]	17
93	EGFr	SphereFp	[2, 3, 4, 9, 13, 15, 16, 17, 19, 21, 23, 25, 28, 30, 32, 33, 34, 37, 39, 40]	20
94	EGFr	TopPPHist	[2, 9]	2
95	EGFr	FragFp	[2, 4, 9]	3
96	EGFr	Flexophore	[1, 2, 3, 9, 11, 13, 15, 18, 21, 25, 31, 38]	12
97	ERagonist	DOCK	[1, 5]	2
98	ERagonist	ActDock	[1, 4]	2
99	ERagonist	ChemAxCFp	[1, 4, 8, 9]	4
100	ERagonist	PathFp	[1, 4, 8, 9]	4
101	ERagonist	SphereFp	[1, 2, 4, 8]	4
102	ERagonist	TopPPHist	[1, 3]	2
103	ERagonist	FragFp	[1]	1
104	ERagonist	Flexophore	[1, 3, 4, 5, 9]	5
105	ERantagonist	DOCK	[2, 6, 7, 8]	4
106	ERantagonist	ActDock	[]	0
107	ERantagonist	ChemAxCFp	[2, 6, 7, 8]	4
108	ERantagonist	PathFp	[2, 6, 8]	3
109	ERantagonist	SphereFp	[2, 6, 7, 8]	4
110	ERantagonist	TopPPHist	[2, 6]	2
111	ERantagonist	FragFp	[2, 6, 8]	3
112	ERantagonist	Flexophore	[2, 6]	2
113	FGFr1	DOCK	[]	0
114	FGFr1	ActDock	[]	0
115	FGFr1	ChemAxCFp	[]	0
116	FGFr1	PathFp	[]	0
117	FGFr1	SphereFp	[1, 3]	2
118	FGFr1	TopPPHist	[]	0
119	FGFr1	FragFp	[]	0
120	FGFr1	Flexophore	[]	0
121	FXa	DOCK	[7, 10, 14, 15]	4
122	FXa	ActDock	[3, 7, 16]	3
123	FXa	ChemAxCFp	[8]	1
124	FXa	PathFp	[4, 8]	2
125	FXa	SphereFp	[7, 8, 19]	3
126	FXa	TopPPHist	[8]	1
127	FXa	FragFp	[8]	1
128	FXa	Flexophore	[7, 8, 12, 19]	4
129	GART	DOCK	[3]	1
130	GART	ActDock	[]	0
131	GART	ChemAxCFp	[]	0
132	GART	PathFp	[]	0
133	GART	SphereFp	[2]	1
134	GART	TopPPHist	[]	0
135	GART	FragFp	[]	0
136	GART	Flexophore	[]	0
137	GPB	DOCK	[2, 4]	2
138	GPB	ActDock	[]	0
139	GPB	ChemAxCFp	[1, 2, 3, 4]	4
140	GPB	PathFp	[1, 2, 3, 4]	4
141	GPB	SphereFp	[2, 4]	2
142	GPB	TopPPHist	[1, 2, 4]	3
143	GPB	FragFp	[1, 2, 3, 4, 5]	5
144	GPB	Flexophore	[1, 2, 4]	3
145	GR	DOCK	[1, 2, 3, 4]	4
146	GR	ActDock	[7]	1
147	GR	ChemAxCFp	[3, 7, 9]	3
148	GR	PathFp	[3, 7]	2
149	GR	SphereFp	[3, 7, 8, 9]	4
150	GR	TopPPHist	[3]	1
151	GR	FragFp	[3, 7, 9]	3
152	GR	Flexophore	[3, 7, 9]	3
153	HIVPR	DOCK	[]	0
154	HIVPR	ActDock	[]	0
155	HIVPR	ChemAxCFp	[]	0
156	HIVPR	PathFp	[]	0
157	HIVPR	SphereFp	[]	0
158	HIVPR	TopPPHist	[]	0
159	HIVPR	FragFp	[3]	1
160	HIVPR	Flexophore	[]	0
161	HIVRT	DOCK	[6]	1
162	HIVRT	ActDock	[]	0
163	HIVRT	ChemAxCFp	[6, 8, 15]	3
164	HIVRT	PathFp	[6, 8, 15]	3
165	HIVRT	SphereFp	[6, 8, 15]	3
166	HIVRT	TopPPHist	[6, 8]	2
167	HIVRT	FragFp	[6, 15]	2
168	HIVRT	Flexophore	[6, 8, 15]	3
169	HMGR	DOCK	[3, 4]	2
170	HMGR	ActDock	[1, 2, 3, 4]	4
171	HMGR	ChemAxCFp	[2, 3]	2
172	HMGR	PathFp	[2, 3]	2
173	HMGR	SphereFp	[2, 3]	2
174	HMGR	TopPPHist	[3]	1
175	HMGR	FragFp	[2, 3]	2
176	HMGR	Flexophore	[2, 3]	2
177	HSP90	DOCK	[2]	1
178	HSP90	ActDock	[]	0
179	HSP90	ChemAxCFp	[2, 3]	2
180	HSP90	PathFp	[2, 3]	2
181	HSP90	SphereFp	[2, 3]	2
182	HSP90	TopPPHist	[2, 3]	2
183	HSP90	FragFp	[2, 3]	2
184	HSP90	Flexophore	[2, 3]	2
185	InhA	DOCK	[]	0
186	InhA	ActDock	[]	0
187	InhA	ChemAxCFp	[6, 9, 12, 22, 23]	5
188	InhA	PathFp	[6, 9, 12, 21, 22, 23]	6
189	InhA	SphereFp	[9, 12, 22, 23]	4
190	InhA	TopPPHist	[12, 19, 21, 22, 23]	5
191	InhA	FragFp	[9, 12, 22, 23]	4
192	InhA	Flexophore	[9, 12, 19, 21, 22, 23]	6
193	MR	DOCK	[1]	1
194	MR	ActDock	[1]	1
195	MR	ChemAxCFp	[]	0
196	MR	PathFp	[]	0
197	MR	SphereFp	[]	0
198	MR	TopPPHist	[]	0
199	MR	FragFp	[]	0
200	MR	Flexophore	[]	0
201	NA	DOCK	[1]	1
202	NA	ActDock	[1]	1
203	NA	ChemAxCFp	[1, 3, 6]	3
204	NA	PathFp	[1, 5]	2
205	NA	SphereFp	[1]	1
206	NA	TopPPHist	[1]	1
207	NA	FragFp	[1, 5, 6]	3
208	NA	Flexophore	[1]	1
209	P38MAP	DOCK	[]	0
210	P38MAP	ActDock	[2]	1
211	P38MAP	ChemAxCFp	[2]	1
212	P38MAP	PathFp	[2]	1
213	P38MAP	SphereFp	[2]	1
214	P38MAP	TopPPHist	[]	0
215	P38MAP	FragFp	[2]	1
216	P38MAP	Flexophore	[2]	1
217	PARP	DOCK	[6]	1
218	PARP	ActDock	[6, 7]	2
219	PARP	ChemAxCFp	[5]	1
220	PARP	PathFp	[5]	1
221	PARP	SphereFp	[2, 5]	2
222	PARP	TopPPHist	[5]	1
223	PARP	FragFp	[2, 5]	2
224	PARP	Flexophore	[5, 6]	2
225	PDE5	DOCK	[11]	1
226	PDE5	ActDock	[]	0
227	PDE5	ChemAxCFp	[1, 11]	2
228	PDE5	PathFp	[1]	1
229	PDE5	SphereFp	[1, 11]	2
230	PDE5	TopPPHist	[1, 7]	2
231	PDE5	FragFp	[1, 11]	2
232	PDE5	Flexophore	[1]	1
233	PNP	DOCK	[1, 2]	2
234	PNP	ActDock	[2, 3, 4]	3
235	PNP	ChemAxCFp	[2, 3]	2
236	PNP	PathFp	[2, 3]	2
237	PNP	SphereFp	[1, 2, 3]	3
238	PNP	TopPPHist	[2, 4]	2
239	PNP	FragFp	[2, 3, 4]	3
240	PNP	Flexophore	[1, 2, 3, 4]	4
241	PPARg	DOCK	[]	0
242	PPARg	ActDock	[]	0
243	PPARg	ChemAxCFp	[5]	1
244	PPARg	PathFp	[]	0
245	PPARg	SphereFp	[5]	1
246	PPARg	TopPPHist	[]	0
247	PPARg	FragFp	[]	0
248	PPARg	Flexophore	[]	0
249	PR	DOCK	[]	0
250	PR	ActDock	[]	0
251	PR	ChemAxCFp	[]	0
252	PR	PathFp	[]	0
253	PR	SphereFp	[2]	1
254	PR	TopPPHist	[]	0
255	PR	FragFp	[]	0
256	PR	Flexophore	[2]	1
257	RXRa	DOCK	[1]	1
258	RXRa	ActDock	[1, 2, 3]	3
259	RXRa	ChemAxCFp	[1]	1
260	RXRa	PathFp	[1]	1
261	RXRa	SphereFp	[1]	1
262	RXRa	TopPPHist	[1]	1
263	RXRa	FragFp	[1]	1
264	RXRa	Flexophore	[1]	1
265	SAHH	DOCK	[1]	1
266	SAHH	ActDock	[1]	1
267	SAHH	ChemAxCFp	[1]	1
268	SAHH	PathFp	[1]	1
269	SAHH	SphereFp	[1]	1
270	SAHH	TopPPHist	[1]	1
271	SAHH	FragFp	[1]	1
272	SAHH	Flexophore	[1]	1
273	SRC	DOCK	[]	0
274	SRC	ActDock	[7]	1
275	SRC	ChemAxCFp	[]	0
276	SRC	PathFp	[]	0
277	SRC	SphereFp	[7]	1
278	SRC	TopPPHist	[17]	1
279	SRC	FragFp	[]	0
280	SRC	Flexophore	[]	0
281	TK	DOCK	[]	0
282	TK	ActDock	[]	0
283	TK	ChemAxCFp	[2]	1
284	TK	PathFp	[2]	1
285	TK	SphereFp	[2, 4]	2
286	TK	TopPPHist	[2]	1
287	TK	FragFp	[2]	1
288	TK	Flexophore	[2, 6]	2
289	trypsin	DOCK	[]	0
290	trypsin	ActDock	[]	0
291	trypsin	ChemAxCFp	[]	0
292	trypsin	PathFp	[]	0
293	trypsin	SphereFp	[]	0
294	trypsin	TopPPHist	[]	0
295	trypsin	FragFp	[]	0
296	trypsin	Flexophore	[]	0