For more information about this project contact Newcastle University’s Bioinformatics Support Unit.

• 24,499
• 30,231 (10%+) – When drug1 binds to target.

Type B

• 19,185
• 22,864 (16%+) – When drug may bind to target2

Type C

• 70,715
• 70,866 (0.2%) – Protein cross checks to Diseases removed
• 200 (-99.7%) – h_s_s between target and protein2 removed
• 1,458,707 (1,963%+) – data includes targets that are “is_a” and/or show simiarity.

200 Motifs Identified:
Seen    Compound Name
24    Mibefradil(118694)
24    Nicardipine(121098)
24    Isradipine(118056)
24    Ibutilide(118077)
24    Magnesium Sulfate(118260)
20    Tirofiban(118330)
20    Eptifibatide(117946)
7    Arsenic trioxide(118576)
6    Thiamine(117201)
4    Ridogrel(118597)
4    K-252a(119055)
4    Dazoxiben(119492)
3    Probenecid(118489)
2    2H-1-BENZOPYRAN-2-ONE(120274)
2    Biotin(120771)
2    Methoxsalen(118205)
1    Hyperforin(118928)
1    SR12813(120172)
1    Ethinyl Estradiol(116726)
1    Estradiol(116747)
1    Rifampin(117495)
1    Vitamin E(117996)

Network name: D:\drugdatasetinput.txt
Network type: Directed
Number of nodes: 121320
Number of edges: 434800
Number of single edges: 307859
Number of mutual edges: 126941

Algorithm: enumeration
Subgraph size: 3

Generated 1000 random networks
with locally constant number of bidirectional edges,
3 exchanges per edge and 3 tries per edge.

172022813 subgraphs were enumerated in the original network.
197199994016 subgraphs were enumerated in the random networks.
197372016829 subgraphs were enumerated in all networks.

For the random networks: 1578398185 tries were made, 1274251639 were successful.
Randomization took 30053.2 seconds.
Enumeration took 697127 seconds.

Output Files:

• Output
• HTML Overview

Size 3 Subgraph (100,000 Samples, 100 Random Network)

• Approximate number of subgraphs: 265326840 (based on 100000 samples)
• 172022813 subgraphs were enumerated in the original network.
• Result File

Size 6 Subgraph (100,000 Samples, 100 Random Network)

• Approximate number of subgraphs: 9365924517517080 (based on 100000 samples)

MFINDER1.2

3 (Default Settings)

• -

6 (Default Settings)

• -

Motif A Type

• Drug1 Only [File]
• Drug2 Only [File]
• Either Drug1 or Drug2 [File]

Motif B Type

• Drug [File]

Motif C Type

• Drug [File]