Citric Acid

Citric Acid

SCHEMBL7204691

CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.58

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 1/20 0.35
ESR1 known ✓ P03372 1/20 0.34
ESR2 known ✓ Q92731 1/20 0.34
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 3/20 0.58
TSHR P16473 2/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
SLC13A5 Q86YT5 6/20 0.39
CYP1A2 P05177 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 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
Citric Acid SCHEMBL7204241 1.00 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRLMNAMAPT
Citric Acid SCHEMBL11179126 0.87 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRLMNAMAPT
Citric Acid SCHEMBL11188422 0.84 ALDH1A1 (0.62) ALDH1A1KDM4ETSHRLMNAMAPT
Citric Acid SCHEMBL27835074 0.83 ALDH1A1 (0.83) ALDH1A1KDM4ETSHRLMNAMAPT
Citric Acid SCHEMBL27541745 0.81 KDM4E (0.55) ALDH1A1KDM4ETSHRLMNAMAPT
Citric Acid SCHEMBL11822428 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRLMNAMAPT
Citric Acid SCHEMBL28058231 0.81 ALDH1A1 (0.71) ALDH1A1KDM4ETSHRLMNAMAPT
Citric Acid SCHEMBL6731419 0.81 ALDH1A1 (0.79) ALDH1A1KDM4ETSHRLMNAMAPT
Citric Acid SCHEMBL28991913 0.81 ALDH1A1 (0.79) ALDH1A1KDM4ETSHRLMNAMAPT
Citric Acid SCHEMBL664271 0.78 ALDH1A1 (0.94) ALDH1A1KDM4ETSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910432-B1 ENHANCED ELECTROTRANSPORT OF THERAPEUTIC AGENTS HAVING POLYBASIC ANIONIC COUNTER-IONS ALZA CORP (US) 2003-10-01 EP disclosed
US-6004577-A DELIVERING THERAPUETIC AGENT THROUGH BODY SURFACE USING ELECTROTRANSPORT BY PLACING SOLUTION COMPIRSING THERAPUETIC AGENT AND METAL COMPOUND CAPABLE OF COMPOLEXING WITH POLYBASIC ANION ALZA CORPORATION 1999-12-21 US disclosed
EP-0910432-A1 ENHANCED ELECTROTRANSPORT OF THERAPEUTIC AGENTS HAVING POLYBASIC ANIONIC COUNTER-IONS ALZA CORPORATION (US) 1999-04-28 EP disclosed
WO-1997047354-A1 ENHANCED ELECTROTRANSPORT OF THERAPEUTIC AGENTS HAVING POLYBASIC ANIONIC COUNTER-IONS ALZA CORPORATION (US) 1997-12-18 WO disclosed