Citric Acid

Citric Acid

SCHEMBL9844147

CCCCCCCCCCCCCCCCCC(=O)NC(CC)C1CNCCO1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.35

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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 19)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.34
PLA2G2C Q5R387 1/20 0.35
FAAH O00519 2/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
PLA2G10 O15496 2/20 0.33
NOD1 Q9Y239 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
DNM1 Q05193 1/20 0.32
DEGS1 O15121 1/20 0.32
ASAH1 Q13510 1/20 0.32
NAAA Q02083 3/20 0.32

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
SCHEMBL123771 0.89 MEN1 (0.43) PLA2G2CFAAHMEN1MAPK1KMT2A
Acetic Acid SCHEMBL9844379 0.88 FAAH (0.40) PLA2G2CFAAHMEN1MAPK1KMT2A
Lactic Acid SCHEMBL427895 0.85 FAAH (0.42) PLA2G2CFAAHMEN1MAPK1KMT2A
Phosphoric Acid SCHEMBL9844245 0.84 MEN1 (0.40) PLA2G2CFAAHMEN1MAPK1KMT2A
Lactic Acid SCHEMBL8519517 0.81 FAAH (0.37) PLA2G2CFAAHMEN1MAPK1KMT2A
Citric Acid SCHEMBL9844150 0.78 EPHX2 (0.40) FAAHGNAI3GNAO1GNAI1DNM1
SCHEMBL17688821 0.71 SLC6A2 (0.37) MEN1MAPK1KMT2AALDH1A1
Citric Acid SCHEMBL8330163 0.70 FAAH (0.45) PLA2G2CFAAHMEN1MAPK1KMT2A
Citric Acid SCHEMBL9189183 0.69 FAAH (0.44) PLA2G2CFAAHMEN1MAPK1KMT2A
Citric Acid SCHEMBL323488 0.69 FAAH (0.44) PLA2G2CFAAHMEN1MAPK1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410659-A2 Method and composition to impart improved conditioning properties to the hair HELENE CURTIS, INC. (US) 1991-01-30 EP claimed
US-4976956-A Water soluble and oil soluble quaternary ammonium compounds and amidoamine HELENE CURTIS, INC. (US) 1990-12-11 US claimed