Citric Acid

Citric Acid

SCHEMBL9844150

CCCCCCCCCCCCCCCCCC(=O)NCCCC1CNCCO1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.40

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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 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
FAAH O00519 6/20 0.39
PRCP P42785 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DNM1 Q05193 2/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
CASP2 P42575 1/20 0.36
OPRD1 P41143 1/20 0.36
BRD4 O60885 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
NAAA Q02083 1/20 0.35

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
SCHEMBL123772 0.90 FAAH (0.47) EPHX2FAAHPRCPKDM4EDNM1
Acetic Acid SCHEMBL9844383 0.88 FAAH (0.45) EPHX2FAAHPRCPKDM4EDNM1
Phosphoric Acid SCHEMBL9844248 0.86 LPAR1 (0.44) EPHX2FAAHPRCPKDM4EDNM1
Lactic Acid SCHEMBL427896 0.84 FAAH (0.41) EPHX2FAAHPRCPKDM4EDNM1
Citric Acid SCHEMBL9844147 0.78 PLA2G2C (0.35) FAAHDNM1GNAI3GNAO1GNAI1
Citric Acid SCHEMBL8949971 0.75 FAAH (0.58) EPHX2FAAHKDM4EDNM1CNR1
Propionic Acid SCHEMBL7185458 0.75 EPHX1 (0.50)
Citric Acid SCHEMBL5501214 0.74 FAAH (0.51) EPHX2FAAHKDM4EDNM1CNR1
SCHEMBL18381393 0.74 SMN1; SMN2 (0.42) EPHX2BRD4
Acetic Acid SCHEMBL5801682 0.73 EPHX1 (0.51) BRD4

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