Citric Acid

Citric Acid

SCHEMBL1131810

CCCCN(CCO)CCO.CCCCN(CCO)CCO.CCCCN(CCO)CCO.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.50

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 0.50
KDM4E B2RXH2 5/20 0.50
LMNA P02545 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM5A P29375 4/20 0.41
MAPT P10636 3/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
PHF8 Q9UPP1 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
HSPD1 P10809 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
HIF1A Q16665 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 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 SCHEMBL5875268 0.93 ALDH1A1 (0.58) KDM4ELMNACYP1A2CYP2D6ALDH1A1
Citric Acid SCHEMBL5875271 0.93 ALDH1A1 (0.58) KDM4ELMNACYP1A2CYP2D6ALDH1A1
Citric Acid SCHEMBL27294006 0.88 ALDH1A1 (0.56) KDM4ELMNACYP1A2CYP2D6ALDH1A1
Citric Acid SCHEMBL3851025 0.88 ALDH1A1 (0.65) KDM4ELMNACYP1A2CYP2D6ALDH1A1
Citric Acid SCHEMBL5474506 0.88 ALDH1A1 (0.65) KDM4ELMNACYP1A2CYP2D6ALDH1A1
Citric Acid SCHEMBL22556290 0.86 ALDH1A1 (0.54) KDM4ELMNACYP1A2CYP2D6ALDH1A1
Citric Acid SCHEMBL29168513 0.86 ALDH1A1 (0.62) KDM4ELMNACYP1A2CYP2D6ALDH1A1
Glycolic Acid SCHEMBL1131480 0.84 KDM5A (0.49) ALDH1A1MEN1KMT2AKDM5AALOX15
Citric Acid SCHEMBL4080306 0.82 ALDH1A1 (0.62) KDM4ELMNACYP1A2CYP2D6ALDH1A1
Citric Acid SCHEMBL5874663 0.82 ALDH1A1 (0.62) KDM4ELMNACYP1A2CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US claimed
EP-1805131-B1 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS INNOVIA FILMS LTD (GB) 2011-02-16 EP claimed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US claimed
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 EP disclosed
EP-1805131-B1 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS INNOVIA FILMS LTD (GB) 2011-02-16 EP disclosed
CN-101316810-A Ionic liquids BIONIQS LTD (GB) 2008-12-03 CN disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed