Citric Acid

Citric Acid

SCHEMBL9844145

CCCCCCCCCCCCCCCCCC(=O)NC1COCCN1CCC.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.38

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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 2/20 0.34
OPRD1 P41143 1/20 0.37
TRPV1 Q8NER1 4/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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 SCHEMBL9844312 0.91 ALDH1A1 (0.34) OPRD1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL123770 0.88 TRPV1 (0.46) TRPV1CNR1CNR2LMNAALDH1A1
Acetic Acid SCHEMBL9844375 0.87 TRPV1 (0.43) TRPV1CNR1CNR2LMNAALDH1A1
Phosphoric Acid SCHEMBL9844239 0.83 TRPV1 (0.42) TRPV1CNR1CNR2LMNAALDH1A1
Lactic Acid SCHEMBL9843961 0.83 MEN1 (0.40) TRPV1CNR1CNR2LMNAALDH1A1
SCHEMBL122497 0.78 TRPV1 (0.35) TRPV1CNR1CNR2LMNAALDH1A1
Acetic Acid SCHEMBL9844165 0.78 TRPV1 (0.33) TRPV1CNR1CNR2LMNAALDH1A1
Phosphoric Acid SCHEMBL9844199 0.74 ALDH1A1 (0.33) TRPV1CNR1CNR2LMNAALDH1A1
Citric Acid SCHEMBL23644590 0.68 GPR84 (0.65) LMNAALDH1A1MAPTALOX15TSHR
Palmitic Acid SCHEMBL8514384 0.68 GPR84 (0.65) LMNAALDH1A1MAPTALOX15TSHR

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