Table 1

Drug target prediction examples by the DRS

Drug Name

Known Targets

Score (frequency for score ties) from the positive drug-pairs

Rank

Score (frequency for score ties) from the newly predicted drug-pairs (not sharing a target)

Rank


DMT (DB01488)

5-HT7

5-HT1B

5-HT5A

    5-HT6

5-HT1D

5-HT1A

    σ1

    5-HT2A

5-HT2C

5-HT2B

0.858(10)

0.858(14)

NA

0.858(6)

0.858(16)

0.910

0.772

0.942(63)

0.942(32)

0.882

40

39

NA

42

38

17

52

1

3

32

0.426

0.778(4)

NA

NA

0.778(4)

0.529(2)

NA

NA

0.376

0.778(2)

75

3

NA

NA

3

45

NA

NA

99

5


K+

0.939 [Potassium H2]

16

0.655 [Potassium D2,D3,KQT2,A1]

28

hERG

NA

NA

NA

NA

    D2

0.961(63)

1

NA

NA

Motilium (DB01184)

    D3

0.917

22

NA

NA

α1

α1A 0.961(26)

4

α1B 0.700(1)

18

α1B 0.961(20)

7

α1A 0.694

20

5(HT2A)

0.961(41)

2

0.752

10


    VMAT2

0.878

1

NA

NA

Xenazine (DB04844)

α2

α2A 0.807

14

α2A 0.706

4

α2B 0.758

15

α2B 0.650

37


Prantal (DB00729)

δ

    M3

0.975

0.986

21

1

0.830

NA

49

NA


M1

0.954(71)

1

NA

NA

M2

0.954(58)

2

NA

NA

M3

0.954(53)

3

NA

NA

β1-

0.918 [β1 adrenergic receptor]

31

0.635 [β1 adrenergic receptor]

24

Paxil (DB00715)

DAT

0.951(24)

10

0.775

4

NET

0.951(45)

6

NA

NA

5-HTT

0.951(42)

7

NA

NA

α1

α1A 0.951(41)

8

α1A 0.687

15

α1B 0.939

12

α1B 0.545

60


Prozac (DB00472)

    5HTT

NET

β1-

CA

H1

5-HT2C

    5-HT2A

M1

0.992(42)

0.992(32)

0.988 [β1 adrenergic receptor]

NA

0.992(25)

0.991(35)

0.992(63)

0.992(23)

2

4

18

NA

5

14

1

6

NA

0.861

0.699 [β1 adrenergic receptor]

CA2, 0.280

0.776

NA

NA

0.735(8)

NA

3

106

357

86

NA

NA

89


Rescriptor (DB00705)

H4

HIVRT

*

    Gag-Pol

NA

NA

0.847

NA

NA

1

0.259

NA

NA

47

NA

NA


    PTGS2

0.923

1

NA

NA

    PDPK1

0.746

21

NA

NA

CA2

NA

NA

0.824

1

Kv

0.505 [Kv subfamily C member 4]

177

0.451 [Kv subfamily KQT member 1]

47

0.451 [Kv subfamily E member 1]

48


Bold: new prediction by Keiser, under bar: known interaction in DrugBank, *: annotated in DrugBank but not in the study by Keiser, Abbreviations: 5HT, 5-hydroxytryptamine; 5-HTT, serotonin transporter; K+, potassium channel; hERG, human Ehter-a-go-go related gene channel; D1-4, Dopamine 1-4; α1-2, α adrenergics; VMAT2, vesicular monoamine transporter 2; δ, δ-opioid receptor, M1-3, muscarinics; β1-, adrenertic agonist; DAT, dopamine transporter; NET, noradrenaline transporter; CA, carbonic anhydrase, H1-4, histaminergics; HIVRT, HIV-1 reverse transcriptase; Gag-Pol, Gag-Pol polyprotein; PTGS2, Prostaglandin G/H synthase 2; PDPK1, 3-phosphoinositide-dependent protein kinase 1; Kv, voltage-gated potassium channels

Park and Kim BMC Systems Biology 2011 5(Suppl 2):S12   doi:10.1186/1752-0509-5-S2-S12

Open Data