ArticleJournal of cheminformatics2022
A multitask GNN-based interpretable model for discovery of selective JAK inhibitors.
Article in Journal of cheminformatics, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
12 citing papers in PubMed, 28 citations in OpenAlex.
- Next-generation Janus kinase inhibitors: Integrating synthetic innovation, structural biology, and computational design for precision drug discovery.Pharmaceutical science advances · 2026Review
- Graph Neural Networks Model Based on Atomic Hybridization for Predicting Drug Targets.Journal of chemical information and modeling · 2026Article
- A transfer learning framework for PTP1B inhibitor activity prediction: differential modeling of natural and non-natural products with web platform implementation.Molecular diversity · 2026Article
- Graph Neural Networks Model Based on Atomic Hybridization for Predicting Drug Targets.bioRxiv : the preprint server for biology · 2025Article
- A multitask interpretable model with graph attention mechanism for activity prediction of low-data PIM inhibitors.Molecular diversity · 2025Article
- Article
- Enhancing property and activity prediction and interpretation using multiple molecular graph representations with MMGX.Communications chemistry · 2024Article
- A gastrointestinal locally activating Janus kinase inhibitor to treat ulcerative colitis.The Journal of biological chemistry · 2023Article
- Pmf-cpi: assessing drug selectivity with a pretrained multi-functional model for compound-protein interactions.Journal of cheminformatics · 2023Article
- CoGT: Ensemble Machine Learning Method and Its Application on JAK Inhibitor Discovery.ACS omega · 2023Article
- Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods.Journal of cheminformatics · 2023Article
- Generation of new inhibitors of selected cytochrome P450 subtypes-Computational and structural biotechnology journal · 2022Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
8 authors at 1 institution in 1 country.
Funding
Abstract
The Janus kinase (JAK) family plays a pivotal role in most cytokine-mediated inflammatory and autoimmune responses via JAK/STAT signaling, and administration of JAK inhibitors is a promising therapeutic strategy for several diseases including COVID-19. However, to screen and design selective JAK inhibitors is a daunting task due to the extremely high homology among four JAK isoforms. In this study, we aimed to simultaneously predict pIC
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Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.