Significant drug interactions with narcotics
Just a small blog before the weekend starts... Since I guided a student from the Forensic Science Master (University of Amsterdam) during her literature thesis on Volatile Organic Compounds from narcotics in breath (presenting her findings on Dec. 13th of 2017, 13:45-14.30, Location A1.06), I wanted to investigate how much information I can find on narcotics in Wikidata. However, there was no label to investigate which compounds are listed under the Opium law (Dutch law on prohibited substance, which you are allowed to use, but not to sell/traffic etc.). So, I added this label for the compounds from List 1 and 2 (there is a difference in harm, however all compounds on these lists are considered to be narcotics), where there was a International Non-proprietary Name (INN) listed (Note: I hope to get to the compounds which do not have an INN yet somewhere in the near future). So, after I did all this manual work (261 unique chemical compounds), I wanted to see what I could do with all this info now. Since I used the Bubblechart from the Wikidata query service a few times now, I wanted to use Cytoscape (cytoscape.org) this time.
I asked for significant drug interactions listed for the chemical compounds which fall under the Opium Law through the SPARQL service of Wikidata (for query see below) and this resulted in the following visualisation:
There are a few things noteworthy here:
1. I can do more with the layout options from Cytoscape (will work on that next week).
2. Methadone has a tremendous amount of significant drug interaction; and there is some overlap with other narcotics.
3. This is the only "hairball" in my network; 170 chemical compounds do not link to anything... So does this mean that these compounds do not have a significant drug interaction, or has this information not been stored yet in Wikidata (would perhaps make a nice student project!).
Furthermore, it would be nice to obtain which physical interactions these narcotics have with receptors (and what they do there), or if they act as a protein inhibitor (which could also be relevant to the previous blog I wrote on key characteristics that carcinogenic compounds could have). Perhaps something for the next blog ;).
Query:
SELECT DISTINCT ?ID ?IDLabel ?Druginteraction ?DruginteractionLabel
WHERE{
?ID wdt:P31 wd:Q11173 .
?ID wdt:P361 wd:Q316572.
OPTIONAL{ ?ID wdt:P769 ?Druginteraction }.
SERVICE wikibase:label { bd:serviceParam wikibase:language "[AUTO_LANGUAGE],en". }
}
ORDER BY DESC(?DruginteractionLabel)
I asked for significant drug interactions listed for the chemical compounds which fall under the Opium Law through the SPARQL service of Wikidata (for query see below) and this resulted in the following visualisation:
 |
| Visualisation of significant drug interactions with narcotics (Data derived from Wikidata) |
1. I can do more with the layout options from Cytoscape (will work on that next week).
2. Methadone has a tremendous amount of significant drug interaction; and there is some overlap with other narcotics.
3. This is the only "hairball" in my network; 170 chemical compounds do not link to anything... So does this mean that these compounds do not have a significant drug interaction, or has this information not been stored yet in Wikidata (would perhaps make a nice student project!).
Furthermore, it would be nice to obtain which physical interactions these narcotics have with receptors (and what they do there), or if they act as a protein inhibitor (which could also be relevant to the previous blog I wrote on key characteristics that carcinogenic compounds could have). Perhaps something for the next blog ;).
Query:
SELECT DISTINCT ?ID ?IDLabel ?Druginteraction ?DruginteractionLabel
WHERE{
?ID wdt:P31 wd:Q11173 .
?ID wdt:P361 wd:Q316572.
OPTIONAL{ ?ID wdt:P769 ?Druginteraction }.
SERVICE wikibase:label { bd:serviceParam wikibase:language "[AUTO_LANGUAGE],en". }
}
ORDER BY DESC(?DruginteractionLabel)
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