Riboflavin

Riboflavin

SCHEMBL21753966

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

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 known ✓ P04150 1/20 0.73
▸ PTGS2 known ✓ P35354 1/20 0.73
▸ MEN1 O00255 7/20 0.79
▸ KMT2A Q03164 7/20 0.79
▸ USP2 O75604 4/20 0.79
▸ HAT1 O14929 4/20 0.79
▸ RBBP7 Q16576 4/20 0.79
▸ HTT P42858 4/20 0.79
▸ KDM4E B2RXH2 3/20 0.79
▸ RECQL P46063 3/20 0.79
▸ CASP7 P55210 3/20 0.79
▸ MAPT P10636 3/20 0.79
▸ CASP1 P29466 2/20 0.79
▸ BRCA1 P38398 2/20 0.79
▸ HSD17B10 Q99714 2/20 0.79
▸ TST Q16762 2/20 0.79
▸ TDP1 Q9NUW8 2/20 0.79
▸ LMNA P02545 1/20 0.79
▸ HBB P68871 1/20 0.79
▸ ALDH1A1 P00352 1/20 0.79

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.

Compoundsimilaritytop predictedshared targets
Riboflavin SCHEMBL22034361 0.95 MEN1 (0.85) MEN1KMT2AUSP2HAT1RBBP7
Riboflavin SCHEMBL535031 0.94 MEN1 (0.87) MEN1KMT2AUSP2HAT1RBBP7
Riboflavin SCHEMBL50154 0.94 MEN1 (0.87) MEN1KMT2AUSP2HAT1RBBP7
Riboflavin SCHEMBL27866166 0.94 MEN1 (0.87) MEN1KMT2AUSP2HAT1RBBP7
Riboflavin SCHEMBL367680 0.93 MEN1 (0.85) MEN1KMT2AUSP2HAT1RBBP7
Riboflavin SCHEMBL21805317 0.93 MEN1 (0.89) MEN1KMT2AUSP2HAT1RBBP7
Riboflavin SCHEMBL296802 0.93 MEN1 (0.89) MEN1KMT2AUSP2HAT1RBBP7
Riboflavin SCHEMBL618997 0.93 MEN1 (0.89) MEN1KMT2AUSP2HAT1RBBP7
Riboflavin SCHEMBL27499698 0.92 MEN1 (0.81) MEN1KMT2AUSP2HAT1RBBP7
Riboflavin SCHEMBL367681 0.92 MEN1 (0.87) MEN1KMT2AUSP2HAT1RBBP7

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020040621-A1 COMPOSITION FOR PROMOTING DIFFERENTIATION OR PROLIFERATION OF HUMAN ADIPOSE STEM CELLS 주식회사 엘지생활건강 2020-02-27 — — WO disclosed
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