Fumaric Acid

SCHEMBL9602467

O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O.OCc1ccc(Cn2c(CC3CCN(CCc4ccccn4)CC3)nc3cccnc32)o1.OCc1ccc(Cn2c(CC3CCN(CCc4ccccn4)CC3)nc3cccnc32)o1

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 11)

	gene	UniProt	supporting neighbours	confidence
▸	HRH1 known ✓	P35367	1/20	0.38

▸	HTR2A known ✓	P28223	2/20	0.37

▸	HTR4 known ✓	Q13639	2/20	0.37

▸	KMT2A known ✓	Q03164	1/20	0.35

▸	SLC6A9	P48067	1/20	0.43

▸	ENPP2	Q13822	4/20	0.40

▸	KDM4E	B2RXH2	1/20	0.40

▸	SMN1; SMN2	Q16637	1/20	0.40

▸	POLB	P06746	1/20	0.40

▸	LMNA	P02545	1/20	0.38

▸	L3MBTL1	Q9Y468	1/20	0.35

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
SCHEMBL9383173	0.94	SLC6A9 (0.46)	SLC6A9ENPP2KDM4ESMN1; SMN2POLB
Fumaric Acid SCHEMBL10554908	0.85	HRH1 (0.53)	SLC6A9ENPP2KDM4ESMN1; SMN2LMNA
SCHEMBL4984769	0.82	SLC6A9 (0.48)	SLC6A9ENPP2KDM4EPOLBLMNA
SCHEMBL9537696	0.77	HRH1 (0.60)	SLC6A9ENPP2KDM4ESMN1; SMN2POLB
SCHEMBL9535970	0.76	SLC6A9 (0.55)	SLC6A9ENPP2LMNA
Fumaric Acid SCHEMBL10816141	0.76	ENPP2 (0.46)	SLC6A9ENPP2KDM4ESMN1; SMN2LMNA
SCHEMBL9387295	0.76	FAAH (0.45)	SLC6A9ENPP2LMNAKMT2AL3MBTL1
Oxalic Acid SCHEMBL9538798	0.76	SLC6A9 (0.47)	SLC6A9ENPP2KDM4ESMN1; SMN2LMNA
Oxalic Acid SCHEMBL9538801	0.76	SLC6A9 (0.47)	SLC6A9ENPP2KDM4ESMN1; SMN2LMNA
Fumaric Acid SCHEMBL10551798	0.76	SLC6A9 (0.48)	SLC6A9ENPP2POLBLMNA

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-5272150-A	Hydroxyalkylfuranyl derivatives	JANSSEN PHARMACEUTICA N.V. (BE)	1993-12-21	—	—	US	disclosed