Citric Acid

SCHEMBL987408

CN1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.36

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 10)

	gene	UniProt	supporting neighbours	confidence
▸	MEN1 known ✓	O00255	1/20	0.30

▸	ALDH1A1	P00352	2/20	0.36

▸	KDM4E	B2RXH2	2/20	0.33

▸	LMNA	P02545	2/20	0.33

▸	MAPT	P10636	1/20	0.33

▸	ALOX15	P16050	1/20	0.33

▸	TSHR	P16473	1/20	0.33

▸	CYP1A2	P05177	1/20	0.30

▸	CYP2D6	P10635	1/20	0.30

▸	KMT2A	Q03164	1/20	0.30

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
Citric Acid SCHEMBL987409	1.00	ALDH1A1 (0.36)	ALDH1A1KDM4ELMNAMAPTALOX15
SCHEMBL34980	0.91	TSHR (0.34)	ALDH1A1LMNAALOX15TSHRMEN1
SCHEMBL9466511	0.91	TSHR (0.34)	ALDH1A1LMNAALOX15TSHRMEN1
Ammonia Solution, Strong SCHEMBL10013113	0.90	TSHR (0.33)	ALDH1A1LMNAALOX15TSHRMEN1
SCHEMBL463019	0.86	CYP1A2 (0.31)	CYP1A2
Citric Acid SCHEMBL988646	0.85	ALDH1A1 (0.38)	ALDH1A1KDM4ELMNATSHRMEN1
Citric Acid SCHEMBL988648	0.85	ALDH1A1 (0.38)	ALDH1A1KDM4ELMNATSHRMEN1
SCHEMBL3212526	0.84	TBXAS1 (0.32)	—
SCHEMBL29732938	0.81	NAAA (0.34)	TSHRMEN1KMT2A
SCHEMBL5453694	0.81	TSHR (0.34)	ALDH1A1LMNAALOX15TSHRMEN1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20060183821-A1	Stabilization of natural composites	CIBA CORPORATION	2006-08-17	—	—	US	claimed
US-7862746-B2	Stabilization of natural composites	BASF SE. (DE)	2011-01-04	—	—	US	disclosed
US-20060183821-A1	Stabilization of natural composites	CIBA CORPORATION	2006-08-17	—	—	US	disclosed