Fumaric Acid

SCHEMBL9635828

C=CCN1CCN(Cc2nc3cccnc3n2CCOCC)CC1.C=CCN1CCN(Cc2nc3cccnc3n2CCOCC)CC1.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.58

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 17)

	gene	UniProt	supporting neighbours	confidence
▸	HTR1A known ✓	P08908	1/20	0.40

▸	HTR2C known ✓	P28335	1/20	0.40

▸	MEN1 known ✓	O00255	2/20	0.40

▸	KMT2A known ✓	Q03164	2/20	0.40

▸	SLC6A9	P48067	1/20	0.58

▸	CHRM5	P08912	1/20	0.44

▸	CHRM1	P11229	1/20	0.44

▸	RXFP1	Q9HBX9	1/20	0.39

▸	GPR4	P46093	1/20	0.39

▸	TP53	P04637	2/20	0.39

▸	ALDH1A1	P00352	2/20	0.38

▸	LMNA	P02545	3/20	0.38

▸	SMN1; SMN2	Q16637	2/20	0.38

▸	KDM4E	B2RXH2	1/20	0.38

▸	MAPT	P10636	1/20	0.37

▸	NPSR1	Q6W5P4	1/20	0.37

▸	TSHR	P16473	1/20	0.37

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
SCHEMBL9684705	0.93	SLC6A9 (0.63)	SLC6A9CHRM5CHRM1HTR1AHTR2C
Fumaric Acid SCHEMBL9635958	0.91	SLC6A9 (0.62)	SLC6A9CHRM5CHRM1MEN1KMT2A
Fumaric Acid SCHEMBL9634661	0.91	SLC6A9 (0.62)	SLC6A9CHRM5CHRM1MEN1KMT2A
Fumaric Acid SCHEMBL9634773	0.88	SLC6A9 (0.58)	SLC6A9CHRM5CHRM1MEN1KMT2A
Fumaric Acid SCHEMBL9878012	0.88	SLC6A9 (0.61)	SLC6A9CHRM5CHRM1MEN1KMT2A
Fumaric Acid SCHEMBL9634770	0.88	SLC6A9 (0.58)	SLC6A9CHRM5CHRM1MEN1KMT2A
Fumaric Acid SCHEMBL9634772	0.87	CHRM5 (0.51)	SLC6A9CHRM5CHRM1MEN1KMT2A
Fumaric Acid SCHEMBL9634735	0.85	SLC6A9 (0.58)	SLC6A9CHRM5CHRM1MEN1KMT2A
Fumaric Acid SCHEMBL9635834	0.85	SLC6A9 (0.58)	SLC6A9CHRM5CHRM1MEN1KMT2A
Fumaric Acid SCHEMBL9634684	0.84	SLC6A9 (0.57)	SLC6A9CHRM5CHRM1MEN1KMT2A

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-5086056-A	Treating allergic diseases	JANSSEN PHARMACEUTICA N.V. (BE)	1992-02-04	—	—	US	disclosed
US-5011842-A	Antihistamines	JANSSEN PHARMACEUTICA N.V. (BE)	1991-04-30	—	—	US	disclosed
US-4946843-A	ANTIALLERGENS	JANSSEN PHARMACEUTICA N.V. (BE)	1990-08-07	—	—	US	disclosed