Riboflavin

SCHEMBL2241206

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Zr+4].[Zr+4].[Zr+4]

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRB1 ADRB2 ADRB3 CYP11B1 DPP4 FGFR1 FGFR2 FGFR3 FGFR4 HRH1 JAK1 JAK2 JAK3 KCNA1 KCNA10 KCNA2 KCNA3 KCNA4 KCNA5 KCNA6 KCNA7 KCNB1 KCNB2 KCNC1 KCNC2 KCNC3 KCNC4 KCND1 KCND2 KCND3 KCNF1 KCNG1 KCNG2 KCNG3 KCNG4 KCNH1 KCNH2 KCNH3 KCNH4 KCNH5 KCNH6 KCNH7 KCNH8 KCNQ1 KCNQ2 KCNQ3 KCNQ4 KCNQ5 KCNS1 KCNS2 KCNS3 KCNV1 KCNV2 KDR KIT NA OPRD1 OPRK1 OPRM1 P PDGFRB PIK3CD SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SMO TYK2 pol rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of Riboflavin. 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
▸	ADRB2 known ✓	P07550	1/20	0.72

▸	ADRA1A known ✓	P35348	1/20	0.72

▸	MEN1	O00255	7/20	0.89

▸	KMT2A	Q03164	7/20	0.89

▸	USP2	O75604	4/20	0.89

▸	KDM4E	B2RXH2	4/20	0.89

▸	HAT1	O14929	4/20	0.89

▸	RBBP7	Q16576	4/20	0.89

▸	HTT	P42858	4/20	0.89

▸	RECQL	P46063	3/20	0.89

▸	CASP7	P55210	3/20	0.89

▸	MAPT	P10636	3/20	0.89

▸	CASP1	P29466	2/20	0.89

▸	BRCA1	P38398	2/20	0.89

▸	HSD17B10	Q99714	2/20	0.89

▸	TST	Q16762	2/20	0.89

▸	TDP1	Q9NUW8	2/20	0.89

▸	ALDH1A1	P00352	2/20	0.89

▸	LMNA	P02545	1/20	0.89

▸	HBB	P68871	1/20	0.89

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
Riboflavin SCHEMBL296802	0.98	MEN1 (0.89)	MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL618997	0.98	MEN1 (0.89)	MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL5477646	0.98	MEN1 (0.89)	MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL1085509	0.98	MEN1 (0.89)	MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL21805317	0.98	MEN1 (0.89)	MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL367681	0.97	MEN1 (0.87)	MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL535031	0.95	MEN1 (0.87)	MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL50154	0.95	MEN1 (0.87)	MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL1085508	0.95	MEN1 (0.87)	MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL27866166	0.95	MEN1 (0.87)	MEN1KMT2AUSP2KDM4EHAT1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2179006-B1	INORGANIC-ORGANIC COMPOSITE FLUORESCENT SUBSTANCE	KARLSRUHER INST TECHNOLOGIE (DE)	2020-07-01	—	—	EP	disclosed
US-8480928-B2	Inorganic-organic composite luminophore	KARLSRUHER INSTITUT FUR TECHNOLOGIE (KIT) (DE)	2013-07-09	—	—	US	disclosed
US-20110198538-A1	INORGANIC-ORGANIC COMPOSITE LUMINOPHORE	Karlsruher Institut for Technologie (KIT) (DE)	2011-08-18	—	—	US	disclosed
EP-2179006-A1	INORGANIC-ORGANIC COMPOSITE FLUORESCENT SUBSTANCE	Karlsruher Institut für Technologie (DE)	2010-04-28	—	—	EP	disclosed
WO-2009100800-A1	INORGANIC-ORGANIC COMPOSITE FLUORESCENT SUBSTANCE	UNIVERSITÄT KARLSRUHE (TH) (DE)	2009-08-20	—	—	WO	disclosed