Riboflavin

Riboflavin

SCHEMBL15513459

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C.Cl.[KH]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
▸ ESR1 known ✓ P03372 1/20 0.71
▸ NR3C1 known ✓ P04150 1/20 0.71
▸ ADRB2 known ✓ P07550 1/20 0.71
▸ HTR2C known ✓ P28335 1/20 0.71
▸ ADRA1A known ✓ P35348 1/20 0.71
▸ PTGS2 known ✓ P35354 1/20 0.71
▸ AGTR1 known ✓ P30556 1/20 0.71
▸ NTRK1 known ✓ P04629 1/20 0.43
▸ GAA known ✓ P10253 1/20 0.33
▸ MEN1 O00255 7/20 0.96
▸ KMT2A Q03164 7/20 0.96
▸ USP2 O75604 4/20 0.96
▸ KDM4E B2RXH2 4/20 0.96
▸ HAT1 O14929 4/20 0.96
▸ RBBP7 Q16576 4/20 0.96
▸ HTT P42858 4/20 0.96
▸ RECQL P46063 3/20 0.96
▸ CASP7 P55210 3/20 0.96
▸ MAPT P10636 3/20 0.96
▸ CASP1 P29466 2/20 0.96

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 SCHEMBL5084919 0.99 MEN1 (0.98) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL5084898 0.99 MEN1 (0.98) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL9776601 0.99 MEN1 (0.98) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL9776589 0.99 MEN1 (0.98) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL246757 0.98 MEN1 (0.96) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL1064647 0.98 MEN1 (0.96) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL6364649 0.98 MEN1 (0.96) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL5899262 0.98 MEN1 (1.00) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL2420598 0.98 MEN1 (1.00) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL13373926 0.98 MEN1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140072650-A1 GELATIN EXTRACT MADE FROM SKATE RAY SKIN AND ANTIHYPERTENSIVE COMPOSITION HAVING PEPTIDE ISOLATED FROM EXTRACT AS ACTIVE INGREDIENT PUKYONG NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-03-13 — — US disclosed
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