Citric Acid

Citric Acid

SCHEMBL429399

CCCCCCC(O)CO.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

The experimentally established mechanism targets of Citric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.54
FFAR1 O14842 3/20 0.53
FFAR4 Q5NUL3 2/20 0.53
HSPD1 P10809 1/20 0.53
BLM P54132 1/20 0.53
HSPE1 P61604 1/20 0.53
ALDH1A1 P00352 1/20 0.48
FAAH O00519 1/20 0.44
PLA2G2C Q5R387 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Citric Acid SCHEMBL427084 0.98 GPR84 (0.51) GPR84FFAR1FFAR4HSPD1BLM
Citric Acid SCHEMBL424042 0.93 ALDH1A1 (0.52) GPR84FFAR1FFAR4HSPD1BLM
Citric Acid SCHEMBL28589360 0.93 FFAR1 (0.61) GPR84FFAR1FFAR4HSPD1BLM
Citric Acid SCHEMBL27514700 0.93 FFAR1 (0.61) GPR84FFAR1FFAR4HSPD1BLM
Citric Acid SCHEMBL426147 0.89 FFAR4 (0.51) GPR84FFAR1FFAR4HSPD1BLM
Citric Acid SCHEMBL30960325 0.89 GPR84 (0.51) GPR84FFAR1FFAR4HSPD1BLM
Citric Acid SCHEMBL29092877 0.88 BLM (0.50) GPR84FFAR1FFAR4HSPD1BLM
Citric Acid SCHEMBL3816409 0.87 HSPD1 (0.55) GPR84FFAR1FFAR4HSPD1BLM
Citric Acid SCHEMBL29563289 0.87 HSPD1 (0.55) GPR84FFAR1FFAR4HSPD1BLM
Citric Acid SCHEMBL30150820 0.87 HSPD1 (0.55) GPR84FFAR1FFAR4HSPD1BLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2012-01-26 US claimed
US-20170157025-A1 TEXTILE FRIENDLY ANTIPERSPIRANT COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2017-06-08 US disclosed
US-8828367-B2 Water-free antiperspirant non-aerosols in which active substances are more readily released HENKEL AG & CO. KGAA (DE) 2014-09-09 US disclosed
US-8603445-B2 Water-free antiperspirant sprays in which active substances are more readily released HENKEL AG & CO. KGAA (DE) 2013-12-10 US disclosed
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2012-07-12 US disclosed
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2012-07-05 US disclosed
US-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2012-01-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS CUTA, NAPEPLD, LIPE GPR84 385/4885FFAR1 8/4885FFAR4 47/4885
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED SIGMAR1, POLR1C, CUTA GPR84 618/4885FFAR1 34/4885FFAR4 163/4885
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED POLR1C, CUTA, PHOSPHO1 GPR84 634/4885FFAR1 45/4885FFAR4 225/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.