Fumaric Acid

SCHEMBL9764009

COc1ccc2c(c1)C(CCNC(C)c1ccccc1)CC(=O)N2C.COc1ccc2c(c1)C1CCN(C(C)c3ccccc3)C(C1)N2C.O=C(O)C=CC(=O)O

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

ACE ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ATP4A ATP4B AXL BTK CACNA1C CACNA1D CACNA1F CACNA1S CCR5 CHRM2 CHRM3 CPT1B CPT2 DPP4 DRD1 DRD2 EGFR ERBB2 ERBB4 FLT3 HRH1 HRH3 HTR1A HTR2A HTR2B HTR2C HTR4 JAK1 JAK2 JAK3 KCNH2 KMT2A MAP2K1 MAP2K2 MEN1 MLNR MPL MTOR P PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PLK4 PPARG REN S1PR1 SLC6A2 SLC6A3 SLC6A4 SMO TYK2 atpA atpB atpC atpD atpE atpF atpFH atpG pol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MEN1 known ✓	O00255	2/20	0.32

▸	KMT2A known ✓	Q03164	2/20	0.32

▸	ADRB2 known ✓	P07550	1/20	0.31

▸	MTNR1A	P48039	6/20	0.33

▸	MTNR1B	P49286	6/20	0.33

▸	HTT	P42858	1/20	0.32

▸	L3MBTL1	Q9Y468	1/20	0.32

▸	ALDH1A1	P00352	1/20	0.31

▸	NQO2	P16083	4/20	0.31

▸	ROCK2	O75116	2/20	0.30

▸	PRKG1	Q13976	2/20	0.30

▸	PLA2G2A	P14555	1/20	0.30

▸	GFER	P55789	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
Fumaric Acid SCHEMBL9764004	1.00	MTNR1A (0.33)	MTNR1AMTNR1BMEN1KMT2AHTT
Fumaric Acid SCHEMBL9549925	0.84	MEN1 (0.41)	MTNR1AMTNR1BMEN1KMT2AHTT
Fumaric Acid SCHEMBL9549905	0.84	MEN1 (0.41)	MTNR1AMTNR1BMEN1KMT2AHTT
SCHEMBL9549943	0.81	MTNR1A (0.42)	MTNR1AMTNR1BMEN1KMT2AHTT
SCHEMBL9764582	0.78	OPRM1 (0.38)	MTNR1AMTNR1B
SCHEMBL9549902	0.66	LMNA (0.46)	MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL9549963	0.66	MTNR1A (0.44)	MTNR1AMTNR1BNQO2
SCHEMBL9549917	0.64	LMNA (0.48)	MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL9549959	0.64	LMNA (0.47)	MTNR1AL3MBTL1ALDH1A1NQO2
SCHEMBL9549926	0.62	SIGMAR1 (0.47)	MEN1KMT2A

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-5010083-A	Cognition activator; Alzheimer*s disease	HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US)	1991-04-23	—	—	US	disclosed