Citric Acid

Citric Acid

SCHEMBL8528242

CC(C)(N=NC(C)(C)C(N)=NO)C(N)=NO.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 0.52

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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 18)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.33
ALDH1A1 P00352 3/20 0.52
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP2D6 P10635 3/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC13A5 Q86YT5 3/20 0.36
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 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
Citric Acid SCHEMBL5769894 0.75 ALDH1A1 (0.68) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL27703284 0.75 ALDH1A1 (0.75) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL238240 0.75 ALDH1A1 (0.75) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL27872788 0.74 ALDH1A1 (0.83) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL31518964 0.74 ALDH1A1 (0.83) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL8039896 0.74 ALDH1A1 (0.83) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL5874391 0.74 ALDH1A1 (0.83) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL3454436 0.74 ALDH1A1 (0.83) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL336281 0.74 ALDH1A1 (0.46) ALDH1A1CYP2D6MAPTCYP3A4
Citric Acid SCHEMBL8815119 0.74 ALDH1A1 (0.94) ALDH1A1HMGCRCHRM1TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679665-B1 Polymerization of acrylic acid and derivatives thereof WAKO PURE CHEM IND LTD (JP) 1998-12-30 EP disclosed
US-5563276-A Polymerization of acrylic acid and derivatives thereof using azoamidoxime salt WACO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-08 US disclosed
EP-0679665-A1 Polymerization of acrylic acid and derivatives thereof WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1995-11-02 EP disclosed