Fumaric Acid

SCHEMBL10817907

Cc1ccc(Cn2c(CC3CCN(C)CC3)nc3ccccc32)cc1.Cc1ccc(Cn2c(CC3CCN(C)CC3)nc3ccccc32)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 0.67

Full drug profile on Sugi Atlas →

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 15)

	gene	UniProt	supporting neighbours	confidence
▸	MEN1 known ✓	O00255	2/20	0.53

▸	KMT2A known ✓	Q03164	2/20	0.53

▸	PPARG known ✓	P37231	1/20	0.46

▸	HRH1 known ✓	P35367	1/20	0.46

▸	KCNH2 known ✓	Q12809	1/20	0.46

▸	HTT	P42858	2/20	0.53

▸	TP53	P04637	2/20	0.53

▸	MAPT	P10636	2/20	0.53

▸	LMNA	P02545	2/20	0.53

▸	SMN1; SMN2	Q16637	2/20	0.53

▸	AGTR1	P30556	1/20	0.48

▸	AGTR2	P50052	1/20	0.48

▸	CYP2D6	P10635	1/20	0.46

▸	NPSR1	Q6W5P4	1/20	0.45

▸	GAA	P10253	1/20	0.45

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
SCHEMBL9540054	0.91	TP53 (0.59)	MEN1HTTKMT2ATP53MAPT
SCHEMBL9535902	0.83	MEN1 (0.63)	MEN1HTTKMT2ATP53MAPT
SCHEMBL9535164	0.82	MEN1 (0.54)	MEN1HTTKMT2ATP53MAPT
Fumaric Acid SCHEMBL10818415	0.79	KCNH2 (0.55)	TP53CYP2D6HRH1KCNH2
SCHEMBL9537111	0.78	KCNH2 (0.63)	MEN1HTTKMT2ATP53MAPT
Fumaric Acid SCHEMBL10551533	0.77	TP53 (0.47)	TP53CYP2D6HRH1KCNH2
SCHEMBL13559747	0.77	KCNH2 (0.69)	KCNH2
SCHEMBL9540172	0.76	TP53 (0.53)	TP53CYP2D6HRH1KCNH2
SCHEMBL9536524	0.76	MEN1 (0.47)	MEN1HTTKMT2ATP53MAPT
Oxalic Acid SCHEMBL9536322	0.76	TP53 (0.53)	TP53CYP2D6HRH1KCNH2

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-4695575-A	ANTIHISTAMINES	JANSSEN PHARMACEUTICA, N.V. (BE)	1987-09-22	—	—	US	disclosed