Fumaric Acid

SCHEMBL9630652

Cc1nc2n(c(=O)c1CCN1CCC(Nc3nc4ccccc4n3Cc3cscn3)C1)CCCC2.Cc1nc2n(c(=O)c1CCN1CCC(Nc3nc4ccccc4n3Cc3cscn3)C1)CCCC2.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.43

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 20)

	gene	UniProt	supporting neighbours	confidence
▸	DRD2 known ✓	P14416	7/20	0.43

▸	HTR2A known ✓	P28223	7/20	0.43

▸	HTR1A known ✓	P08908	6/20	0.43

▸	KCNH2 known ✓	Q12809	12/20	0.40

▸	HTR2C known ✓	P28335	3/20	0.38

▸	ADRA1A known ✓	P35348	3/20	0.38

▸	HRH1 known ✓	P35367	3/20	0.38

▸	CACNA1F known ✓	O60840	2/20	0.38

▸	CHRM2 known ✓	P08172	2/20	0.38

▸	ADRA2A known ✓	P08913	2/20	0.38

▸	ADRA2B known ✓	P18089	2/20	0.38

▸	ADRA2C known ✓	P18825	2/20	0.38

▸	CHRM3 known ✓	P20309	2/20	0.38

▸	DRD1 known ✓	P21728	2/20	0.38

▸	SLC6A2 known ✓	P23975	2/20	0.38

▸	ADRA1D known ✓	P25100	2/20	0.38

▸	SLC6A4 known ✓	P31645	2/20	0.38

▸	HTR2B known ✓	P41595	2/20	0.38

▸	CACNA1D known ✓	Q01668	2/20	0.38

▸	SLC6A3 known ✓	Q01959	2/20	0.38

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
SCHEMBL9690828	0.95	DRD2 (0.47)	DRD2HTR2AHTR1AEEDKCNH2
Fumaric Acid SCHEMBL9630697	0.87	EED (0.56)	DRD2HTR2AHTR1AEEDKCNH2
SCHEMBL9690928	0.81	EED (0.62)	DRD2HTR2AHTR1AEEDKCNH2
SCHEMBL9537098	0.80	HTR2A (0.49)	DRD2HTR2AHTR1AKCNH2HTR2C
SCHEMBL9629505	0.78	SSTR5 (0.47)	DRD2HTR2AHTR1AEEDKCNH2
SCHEMBL9629572	0.78	DRD2 (0.46)	DRD2HTR2AHTR1AEEDKCNH2
Oxalic Acid SCHEMBL9630103	0.76	EED (0.67)	DRD2HTR2AHTR1AEEDKCNH2
Oxalic Acid SCHEMBL9630097	0.76	EED (0.67)	DRD2HTR2AHTR1AEEDKCNH2
Fumaric Acid SCHEMBL9631171	0.75	HTR1A (0.45)	DRD2HTR2AHTR1AEEDKCNH2
SCHEMBL9630454	0.75	EED (0.50)	DRD2HTR2AHTR1AEEDKCNH2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5151424-A	Antiallergens or antihistamines	JANSSEN PHARMACEUTICA N.V. (BE)	1992-09-29	—	—	US	disclosed
US-4988689-A	Antiallergens, antihistamines	JANSSEN PHARMACEUTICA N.V. (BE)	1991-01-29	—	—	US	disclosed