BETABiohacksAI is a research tool for informational purposes only. All outputs are computational hypothesis candidates — not confirmed mechanisms, not medical advice, and not a substitute for professional medical judgment. Independent experimental validation is always required.
BiohacksAI is an evolving scientific literature platform. New compounds and evidence are indexed continuously.
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Compound Clusters

134 mechanistic compound clusters computed via Louvain community detection on the BiohacksAI target interaction graph. Compounds within each cluster share molecular target interactions, suggesting mechanistic similarity and potential combinatorial synergy.

CYP2C19 Modulators
1043 compoundscohesion 0.094
DRD3 Modulators
527 compoundscohesion 0.170
CNR1 Modulators
342 compoundscohesion 0.939
FLT3 Modulators
342 compoundscohesion 0.085
CAT Modulators
295 compoundscohesion 0.162
OPRD Modulators
288 compoundscohesion 0.840
SC6A4 Modulators
286 compoundscohesion 0.798
CA1 Modulators
174 compoundscohesion 0.281
ACM2 Modulators
95 compoundscohesion 0.641
COX-2 Inhibitors
87 compoundscohesion 0.366
OPRM1 Modulators
64 compoundscohesion 0.586
HDAC6 Modulators
58 compoundscohesion 0.415
DHI2 Modulators
58 compoundscohesion 0.916
ESR2 Modulators
46 compoundscohesion 0.822
BCHE Modulators
44 compoundscohesion 0.578
MAOB Modulators
42 compoundscohesion 0.405
ACHA4 Modulators
39 compoundscohesion 0.800
CHRM2 Modulators
37 compoundscohesion 0.550
CHLE Modulators
33 compoundscohesion 0.981
PIK3CB Modulators
31 compoundscohesion 0.379
PPAR Dual Agonists
30 compoundscohesion 0.516
OX2R Modulators
30 compoundscohesion 1.000
ADORA1 Modulators
25 compoundscohesion 0.644
ABCB1 Modulators
22 compoundscohesion 0.600
OPRX Modulators
22 compoundscohesion 1.000
JAK1 Modulators
21 compoundscohesion 0.681
CAH2 Modulators
21 compoundscohesion 0.489
Carbonic_anhydrase_I Modulators
20 compoundscohesion 0.154
ERBB2 Modulators
19 compoundscohesion 0.737
NOS1 Modulators
18 compoundscohesion 0.727
CTSB Modulators
18 compoundscohesion 0.328
CP3A4 Modulators
17 compoundscohesion 0.478
GSK3A Modulators
16 compoundscohesion 0.631
CDK2 Modulators
16 compoundscohesion 0.336
AKR1B10 Modulators
16 compoundscohesion 0.412
F10 Modulators
16 compoundscohesion 0.366
CES2 Modulators
16 compoundscohesion 0.303
PDE4B Modulators
16 compoundscohesion 0.435
AVPR2 Modulators
15 compoundscohesion 0.618
AA3R Modulators
15 compoundscohesion 0.729
HRH4 Modulators
14 compoundscohesion 0.799
SLC5A2 Modulators
14 compoundscohesion 0.611
OPRX Modulators
13 compoundscohesion 1.000
MMP2 Modulators
12 compoundscohesion 0.302
GABRA5 Modulators
12 compoundscohesion 0.520
FAAH1 Modulators
11 compoundscohesion 1.000
GPBAR1 Modulators
11 compoundscohesion 0.330
PTPN1 Modulators
11 compoundscohesion 0.295
HSP90AB1 Modulators
11 compoundscohesion 0.426
EBP Modulators
11 compoundscohesion 0.627
BCL2L1 Modulators
10 compoundscohesion 0.393
RARG Modulators
10 compoundscohesion 0.960
SCN5A Modulators
10 compoundscohesion 0.411
CP2D6 Modulators
10 compoundscohesion 1.000
BRD4 Modulators
10 compoundscohesion 0.423
TRY1 Modulators
10 compoundscohesion 0.675
ACHB2 Modulators
10 compoundscohesion 1.000
CCR5 Modulators
9 compoundscohesion 1.000
NK1R Modulators
9 compoundscohesion 1.000
CYP11B1 Modulators
9 compoundscohesion 0.516
PARP10 Modulators
9 compoundscohesion 0.462
GASR Modulators
9 compoundscohesion 0.901
GBA1 Modulators
9 compoundscohesion 0.729
GRIA1 Modulators
9 compoundscohesion 0.513
CP17A Modulators
9 compoundscohesion 1.000
BACE1 / Amyloid
8 compoundscohesion 0.501
BACE2 Modulators
8 compoundscohesion 0.849
DPP8 Modulators
8 compoundscohesion 0.611
MGAM Modulators
8 compoundscohesion 0.318
5HT3A Modulators
8 compoundscohesion 1.000
PSMB5 Modulators
7 compoundscohesion 0.396
NPY1R Modulators
7 compoundscohesion 0.487
TACR3 Modulators
7 compoundscohesion 0.621
SIRT2 Modulators
7 compoundscohesion 0.362
EDNRB Modulators
7 compoundscohesion 1.000
MC5R Modulators
7 compoundscohesion 0.716
GRM3 Modulators
7 compoundscohesion 0.415
TGM2 Modulators
7 compoundscohesion 0.620
HYES Modulators
7 compoundscohesion 0.791
DPP2 Modulators
6 compoundscohesion 0.821
AGTR1 Modulators
6 compoundscohesion 0.769
CDC25B Modulators
6 compoundscohesion 0.286
NR1H2 Modulators
6 compoundscohesion 0.739
NPFF1 Modulators
6 compoundscohesion 0.872
PGH2 Modulators
6 compoundscohesion 1.000
KPCD Modulators
6 compoundscohesion 0.688
CP3A4 Modulators
5 compoundscohesion 1.000
THRA Modulators
5 compoundscohesion 0.643
HCRTR2 Modulators
5 compoundscohesion 0.908
PPP1CC Modulators
5 compoundscohesion 0.345
SLC46A1 Modulators
5 compoundscohesion 0.398
CCKBR Modulators
5 compoundscohesion 0.849
PDE3B Modulators
5 compoundscohesion 0.418
SCN7A Modulators
5 compoundscohesion 1.000
METAP2 Modulators
5 compoundscohesion 0.421
ITA5 Modulators
5 compoundscohesion 1.000
LKHA4 Modulators
4 compoundscohesion 1.000
GPR17 Modulators
4 compoundscohesion 0.474
KCNN3 Modulators
4 compoundscohesion 0.441
MTNR1B Modulators
4 compoundscohesion 0.605
CASP1 Modulators
4 compoundscohesion 0.795
SGMS2 Modulators
4 compoundscohesion 0.736
TET2 Modulators
4 compoundscohesion 0.177
EPHX1 Modulators
4 compoundscohesion 1.000
SSTR3 Modulators
4 compoundscohesion 0.635
PDE10A Modulators
4 compoundscohesion 0.381
P2Y Modulators
4 compoundscohesion 0.353
SSR5 Modulators
4 compoundscohesion 1.000
GCR Modulators
4 compoundscohesion 0.910
ADA2B Modulators
4 compoundscohesion 1.000
V1AR Modulators
4 compoundscohesion 1.000
ITA2B Modulators
4 compoundscohesion 1.000
S5A2 Modulators
4 compoundscohesion 1.000
SO1B3 Modulators
4 compoundscohesion 1.000
PK3CA Modulators
3 compoundscohesion 0.580
FAAH Modulators
3 compoundscohesion 0.272
EZH1 Modulators
3 compoundscohesion 0.586
SC6A3 Modulators
3 compoundscohesion 1.000
ALOX5 Modulators
3 compoundscohesion 1.000
MIF Modulators
3 compoundscohesion 1.000
TBXA2R Modulators
3 compoundscohesion 1.000
CRBN Modulators
3 compoundscohesion 0.874
AKT3 Modulators
3 compoundscohesion 0.710
GGPS1 Modulators
3 compoundscohesion 1.000
MCHR2 Modulators
3 compoundscohesion 1.000
MME Modulators
3 compoundscohesion 0.399
LCAP Modulators
3 compoundscohesion 0.492
SPHK2 Modulators
3 compoundscohesion 1.000
GPR17 Modulators
3 compoundscohesion 0.427
TRPM2 Modulators
3 compoundscohesion 1.000
VIPR2 Modulators
3 compoundscohesion 1.000
IDO1 Modulators
3 compoundscohesion 0.603
5HT1D Modulators
3 compoundscohesion 1.000
AL5AP Modulators
3 compoundscohesion 1.000