Promiscuous compounds

[sandrine-muller-research]

Scrutinizing a bit more the results (first 5 pages of 50 compounds or so) for several queries (~10), I have started to see some ChemicalEntities that seem to be promiscuous (coming as an answer for a lot of queries) : sirolimus valproic acid gadolinium curcumin Ergocalciferol Ozone Nicotine Tacrolimus Mercury propofol Potassium chloride aspirin tramadol propofol Sodium chloride Calcium codeine Methylene blue Propranolol Ethanol Oxygen Analgesics Ibuprofen They seem to come as results because they are linked to a lot of diseases and score up too high to my taste. I wonder if @MarkDWilliams 's cardinality could help lower them down?

[sandrine-muller-research]

Hydrogen Bisphenol a Aspirin Nitrogen Hydrogen peroxide Metformin Estradiol Morphine Zinc Imatinib Formaldehyde

[cbizon]

Needs investigation to determine amount and cause? Perhaps this would be something good to define some tests around.

[khanspers]

Additional compounds that are frequently returned as results for various queries:

• Lipopolysaccharide
• Cobalt chloride

[sierra-moxon]

adding "needs review" so that we can assign a volunteer or group of volunteers to design tests and/or otherwise determine next steps.

[sierra-moxon]

from TAQA: dexamethisone vitamin A chemotherapeutic agents are two more (transcription-bombs seem to link everything together). TNF is a gene all over the place (but the evidence is sound)

what we need to do:

• go thru a series of queries programmatically and answer the questions:

is it always one ARA that is returning one of these, or a set of these? is it from one source or many sources? (this could change what we want to do about it).

is there evidence for each of these or are they in the middle of hops -- highly connected nodes, etc...

do ARAs check the inverse? do we also check what this drug can treat vs. the other way - it might affect the results that come back. drugs coming back on this thing, but look for the things by drug to see if there are still results.

[Genomewide]

I ran 37 diseases through what may treat. Attempted to have a diversity of disease types(blindness, constipation, AD, webbed toes, PTSD, etc.). See table below with diseases and PKs. Spread sheet with summary of results that appeared in 10 or more of the 37 https://docs.google.com/spreadsheets/d/1-6JyZeqEKQbDDh-gl5cygFIWVLqJTUCK4fYxYTVQNIQ/edit?usp=sharing

I included a breakout by ARA and included the number of responses that they gave 1 or more answers for. Not sure how to count things if they did not provide any results.

For the screenshot below: Aragorn returned valproic acid 3 times and had results for 13 of the queries. Improving agent returned valproic acid 6 time and had results for 28 of the queries. So, twice as many instances of the common result but also twice as many queries with results.

I don't know if this is bad or good or neither? However, if you are a diabetic on metformin being given cyclosporin to suppress your immune system while controlling your seizures with valproic acid, you may be immortal!

Here are the diseases and the PKs

resultPK |   -- | -- 87d4eb93-8e4b-4955-8337-7333661e2be9 | Alzheimer disease 0ac4941a-31d2-43ef-8e03-ad0d5255dae0 | amyotrophic lateral sclerosis 7d586a9d-0ec7-4995-988b-a69508079327 | antisocial personality disorder c78f91cf-f49a-4c3d-ad31-924cefc2e255 | asthma 07dd4bc7-f15e-43e5-b9ea-042c85e0e1f0 | atopic eczema 700932eb-ca88-4fc3-9613-d43884d334ec | attention deficit-hyperactivity disorder 98bf2629-1773-4b67-b3d9-03a4d9ae0bb8 | autism spectrum disorder 2f91fc50-c72f-41ae-ba35-726f42202e19 | blindness (disorder) d4ee111c-5239-4ff9-88d1-b5e5db443ac7 | breast cancer 7914d1fd-4598-4c48-afe9-28cd6eaefbcd | Chronic constipation 31f0701e-ab18-4ee4-bc80-1d15f7e4649b | chronic obstructive pulmonary disease 582d695f-a038-4c16-b3c3-173cda1b007a | common cold 7bf839cd-b1a4-4038-8b41-30ba7fde4c1d | Cystic acne 6c535d3b-f7db-403e-bb82-f6e3ade32aa7 | cystic fibrosis 77bcb34c-b259-4985-b958-d705fd7b10d3 | dental caries a3f1baa6-e770-4f7e-9719-a1d3c102f9a7 | depressive disorder 59104990-cc3c-4ae6-982b-db23fb5b4b46 | diabetes insipidus 8901a072-9329-4172-b15b-7ede64f561cc | diabetes mellitus faa841f6-bda7-4302-bd9b-b6c73c1f9c59 | dissociative amnesia d66328fb-4942-482d-8b8e-dfe4de348861 | gastroesophageal reflux disease 65e48ec5-665c-4cfe-9248-de7c6318bd67 | generalized anxiety disorder 3aa82c04-b1e2-4d28-a114-59220a629fea | Heart murmur 0fdf5581-96da-494d-be4b-ff7e961723f5 | hemorrhoid 08398164-dbdf-4e97-b589-fdd75968e1db | Huntington disease 24f4069c-2893-437e-b218-53e666cd08b6 | impetigo 68e3944c-d06b-4f8d-8779-0cce684da7c2 | Ischemic stroke 81879c43-e025-4729-982b-179d42b43e2c | lung cancer 92501dbd-7117-4ef7-a5c2-de64874fc08e | manic bipolar affective disorder d79d5108-6538-4814-95ba-d60f1e653f29 | meningitis 9f75caee-1c13-4a56-bbfc-574ae6115cda | migraine with aura 698b6f1a-ed82-4ea8-a6f7-3719ded3c453 | muscular dystrophy 77679e30-e435-454b-b756-83dc72fdc03a | pleurisy 75df6e52-8c6b-450b-8502-cf0a62f1bd20 | post-traumatic stress disorder 2f138a27-9498-46dd-ab83-f6c9232affa4 | pulmonary fibrosis 6ac5109b-8fe2-49ba-a1b2-7f664624029d | social phobia 00c6b6ca-b5f3-4850-971d-075f29ee414b | sunburn 84446e96-4fda-420f-9023-a8d0d8ba6db5 | Toe syndactyly

[Genomewide]

I did not do this for MVP2. Do we need that? I can redo this process for that as well, but will wait for feedback on what mistakes I made here.