Citric Acid

Citric Acid

SCHEMBL7915515

CC(Cl)(Cl)Cl.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.75

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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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.40
ALDH1A1 P00352 3/20 0.75
HMGCR P04035 1/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 1/20 0.52
ADRA1A P35348 1/20 0.52
TSHR P16473 3/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC13A5 Q86YT5 3/20 0.44
KDM4E B2RXH2 4/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
CPT2 P23786 2/20 0.39
FFAR1 O14842 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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 SCHEMBL28180321 0.90 ALDH1A1 (0.83) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL31518964 0.90 ALDH1A1 (0.83) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL9099816 0.89 ALDH1A1 (0.94) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL28201673 0.87 ALDH1A1 (0.79) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL17099621 0.87 ALDH1A1 (0.79) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL28112188 0.87 ALDH1A1 (0.88) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL30359537 0.87 ALDH1A1 (0.88) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL2396390 0.87 ALDH1A1 (0.88) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL240402 0.87 ALDH1A1 (1.00) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL1332229 0.87 ALDH1A1 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed