Use Case 5: Small Molecules to Induce a Biological Process
Version 1

Workflow Type: Playbook Workflow Builder Workflow

The workflow starts with selecting Autophagy as the search term. Gene sets with set labels containing Autophagy were queried from Enrichr[1]. Identified matching terms from the MGI Mammalian Phenotype Level 4 2019[2] library were assembled into a collection of gene sets. A GMT was extracted from the Enrichr results for MGI_Mammalian_Phenotype_Level_4_2019. All the identified gene sets were combined using the union set operation. Reversers and mimickers from over 1 million signatures were identified using SigCom LINCS[4]. Resolved drugs from the LINCS L1000 Chemical Perturbagens library. Identified matching terms from the KEGG 2021 Human[6] library were assembled into a collection of gene sets. A GMT was extracted from the Enrichr results for KEGG_2021_Human. All the identified gene sets were combined using the union set operation. Reversers and mimickers from over 1 million signatures were identified using SigCom LINCS[4]. Identified matching terms from the GO Biological Process 2021[7] library were assembled into a collection of gene sets. A GMT was extracted from the Enrichr results for GO_Biological_Process_2021. All the identified gene sets were combined using the union set operation. Reversers and mimickers from over 1 million signatures were identified using SigCom LINCS[4]. Resolved drugs from the LINCS L1000 Chemical Perturbagens library. Resolved drugs from the LINCS L1000 Chemical Perturbagens library. The mean across multiple Scored Drugs is computed. The drugs were filtered by FDA Approved Drugs with the help of PubChem APIs[8].

  1. Xie, Z. et al. Gene Set Knowledge Discovery with Enrichr. Current Protocols vol. 1 (2021). doi:10.1002/cpz1.90
  2. Blake, J. A. et al. Mouse Genome Database (MGD): Knowledgebase for mouse–human comparative biology. Nucleic Acids Research vol. 49 D981–D987 (2020). doi:10.1093/nar/gkaa1083
  3. Evangelista, J. E. et al. SigCom LINCS: data and metadata search engine for a million gene expression signatures. Nucleic Acids Research vol. 50 W697–W709 (2022). doi:10.1093/nar/gkac328
  4. Kanehisa, M., Furumichi, M., Sato, Y., Kawashima, M. & Ishiguro-Watanabe, M. KEGG for taxonomy-based analysis of pathways and genomes. Nucleic Acids Research vol. 51 D587–D592 (2022). doi:10.1093/nar/gkac963
  5. Ashburner, M. et al. Gene Ontology: tool for the unification of biology. Nature Genetics vol. 25 25–29 (2000). doi:10.1038/75556
  6. Kim, S. et al. PubChem 2023 update. Nucleic Acids Research vol. 51 D1373–D1380 (2022). doi:10.1093/nar/gkac956

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Inputs

ID Name Description Type
step-1-data Pathway or Biological Process Input Start with a Pathway or Biological Process
  • File

Steps

ID Name Description
step-1 Pathway or Biological Process Input Start with a Pathway or Biological Process
step-2 Extract Gene Sets Containing the Pathway or Biological Process in the Set Label Find Pathway or Biological Process Terms in Enrichr Libraries
step-3 Extract MGI Mammalian Phenotypes Associated with the Term Search Extract Terms from the MGI Mammalian Phenotype Level 4 2019 Library
step-4 Enrichr Phenotype Set as GMT Load Enrichr set as GMT
step-5 Compute Union Gene Set Find the union set of all genes in the GMT
step-6 SigCom LINCS Gene Set Search Query LINCS L1000 Signatures
step-7 Extract LINCS L1000 Chemical Perturbagens Extract signatures from the results
step-8 Extract KEGG Pathways Containing the Term Search Extract Terms from the KEGG 2021 Human Library
step-9 Enrichr Pathway or Biological Process Set as GMT Load Enrichr set as GMT
step-10 Compute Union Gene Set Find the union set of all genes in the GMT
step-11 SigCom LINCS Gene Set Search Query LINCS L1000 Signatures
step-12 Extract GO Biological Processes Containing the Term Search Extract Terms from the GO Biological Process 2021 Library
step-13 Enrichr Pathway or Biological Process Set as GMT Load Enrichr set as GMT
step-14 Compute Union Gene Set Find the union set of all genes in the GMT
step-15 SigCom LINCS Gene Set Search Query LINCS L1000 Signatures
step-16 Extract LINCS L1000 Chemical Perturbagens Extract signatures from the results
step-17 Extract LINCS L1000 Chemical Perturbagens Extract signatures from the results
step-18 Mean Scored Values Take the mean value across multiple scores
step-19 Extract FDA Approved Drugs Filter the drugs with PubChem APIs

Outputs

ID Name Description Type
step-1-output Pathway or Biological Process Pathway or Biological Process Term
  • File
step-2-output Enrichr Term Search Results Results of an Enrichr Term Search
  • File
step-3-output Enrichr Phenotype Set Set of Phenotypes
  • File
step-4-output Gene Matrix Transpose Terms mapped to genes
  • File
step-5-output Gene Set Set of Genes
  • File
step-6-output SigCom LINCS Gene Set Search Results LINCS L1000 Gene Set Query Results
  • File
step-7-output Scored Drugs ZScores of Drugs
  • File
step-8-output Enrichr Pathway or Biological Process Set Set of Pathway or Biological Processes
  • File
step-9-output Gene Matrix Transpose Terms mapped to genes
  • File
step-10-output Gene Set Set of Genes
  • File
step-11-output SigCom LINCS Gene Set Search Results LINCS L1000 Gene Set Query Results
  • File
step-12-output Enrichr Pathway or Biological Process Set Set of Pathway or Biological Processes
  • File
step-13-output Gene Matrix Transpose Terms mapped to genes
  • File
step-14-output Gene Set Set of Genes
  • File
step-15-output SigCom LINCS Gene Set Search Results LINCS L1000 Gene Set Query Results
  • File
step-16-output Scored Drugs ZScores of Drugs
  • File
step-17-output Scored Drugs ZScores of Drugs
  • File
step-18-output Scored Drugs ZScores of Drugs
  • File
step-19-output Scored Drugs ZScores of Drugs
  • File

Version History

Version 1 (earliest) Created 13th Jan 2025 at 21:10 by Daniel Clarke

Initial commit


Frozen Version-1 e418a73
help Creators and Submitter
Creator
  • Playbook Partnership NIH CFDE
Submitter
Citation
NIH CFDE, P. P. (2025). Use Case 5: Small Molecules to Induce a Biological Process. WorkflowHub. https://doi.org/10.48546/WORKFLOWHUB.WORKFLOW.1240.1
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Created: 13th Jan 2025 at 21:10

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