Citric Acid

SCHEMBL8916871

O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CCCCCC(C(=O)O)(N1C(=O)CCC1=O)N1C(=O)CCC1=O.[NaH].[NaH].[NaH]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ACVR1 ADORA1 ADORA2A ADORA2B ADORA3 ESR1 ESR2 FLT3 GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B GSC1 HRH1 HTR7 IDH1 IDH2 IRAK1 JAK1 JAK2 JAK3 MEN1 OPRM1 P2RX3 PDE5A SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SIGMAR1 SLC6A2 SYK TACR1 TOP2A TYK2

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)

	gene	UniProt	supporting neighbours	confidence
▸	MEN1 known ✓	O00255	1/20	0.32

▸	ALDH1A1	P00352	2/20	0.40

▸	ACLY	P53396	2/20	0.34

▸	GAA	P10253	1/20	0.32

▸	KMT2A	Q03164	1/20	0.32

▸	LMNA	P02545	2/20	0.32

▸	TSHR	P16473	2/20	0.32

▸	NFKB1	P19838	1/20	0.32

▸	PMP22	Q01453	1/20	0.32

▸	PTGS1	P23219	4/20	0.31

▸	PTGS2	P35354	4/20	0.31

▸	SCD	O00767	1/20	0.31

▸	SLC13A5	Q86YT5	2/20	0.31

▸	KDM4E	B2RXH2	1/20	0.31

▸	MAPT	P10636	1/20	0.31

▸	ALOX15	P16050	1/20	0.31

▸	PTGER3	P43115	1/20	0.31

▸	PTGER2	P43116	1/20	0.31

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.

Compound	similarity	top predicted	shared targets
SCHEMBL1943663	0.89	TSHR (0.40)	ALDH1A1MEN1GAAKMT2ALMNA
SCHEMBL557138	0.89	TSHR (0.40)	ALDH1A1MEN1GAAKMT2ALMNA
SCHEMBL18705335	0.83	CYP1A2 (0.35)	ALDH1A1MEN1GAAKMT2ALMNA
SCHEMBL21986417	0.81	EPHX2 (0.42)	ALDH1A1LMNATSHRKDM4E
SCHEMBL29790176	0.78	KMT2A (0.32)	MEN1GAAKMT2ALMNATSHR
SCHEMBL1062014	0.76	ALDH1A1 (0.33)	ALDH1A1MEN1KMT2A
SCHEMBL8818609	0.76	TSHR (0.39)	ALDH1A1MEN1GAAKMT2ALMNA
Citric Acid SCHEMBL28538391	0.74	ALDH1A1 (0.71)	ALDH1A1MEN1KMT2ALMNATSHR
Sebacic Acid SCHEMBL11061137	0.74	ALDH1A1 (0.71)	ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL378264	0.74	SCD (0.38)	ALDH1A1MEN1KMT2ATSHRSCD

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5652093-A	Analogues of reporter groups as background reducers in binding assays	APROGENEX, INC. (US)	1997-07-29	—	—	US	disclosed