Citric Acid

Citric Acid

SCHEMBL426147

CCCCCC(O)CCO.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 0.51

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 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.51
FFAR1 O14842 1/20 0.51
GPR84 Q9NQS5 5/20 0.49
HSPD1 P10809 1/20 0.48
BLM P54132 1/20 0.48
HSPE1 P61604 1/20 0.48
ALDH1A1 P00352 1/20 0.47
FAAH O00519 1/20 0.43
NFKB1 P19838 1/20 0.42
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
PSMD14 O00487 1/20 0.40
PLA2G1B P04054 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP2 P08253 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40

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 SCHEMBL429914 0.95 ALDH1A1 (0.48) FFAR4FFAR1GPR84HSPD1BLM
Citric Acid SCHEMBL28589360 0.92 FFAR1 (0.61) FFAR4FFAR1GPR84HSPD1BLM
Citric Acid SCHEMBL27514700 0.92 FFAR1 (0.61) FFAR4FFAR1GPR84HSPD1BLM
Citric Acid SCHEMBL427084 0.90 GPR84 (0.51) FFAR4FFAR1GPR84HSPD1BLM
Citric Acid SCHEMBL429399 0.89 GPR84 (0.54) FFAR4FFAR1GPR84HSPD1BLM
Citric Acid SCHEMBL426273 0.89 ALDH1A1 (0.48) FFAR4FFAR1GPR84HSPD1BLM
Citric Acid SCHEMBL10006598 0.89 ALDH1A1 (0.52) FFAR4FFAR1GPR84HSPD1BLM
Citric Acid SCHEMBL424025 0.88 ALDH1A1 (0.47) FFAR4FFAR1GPR84HSPD1BLM
Citric Acid SCHEMBL30960325 0.87 GPR84 (0.51) FFAR4FFAR1GPR84HSPD1BLM
Citric Acid SCHEMBL424009 0.86 ALDH1A1 (0.48) FFAR4FFAR1GPR84HSPD1BLM

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 FFAR4 47/4885FFAR1 8/4885GPR84 385/4885
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED SIGMAR1, POLR1C, CUTA FFAR4 163/4885FFAR1 34/4885GPR84 618/4885
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED POLR1C, CUTA, PHOSPHO1 FFAR4 225/4885FFAR1 45/4885GPR84 634/4885

“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.