Petunidin

Petunidin

SCHEMBL8500875

COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O.COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)ccc1O.Cl.Cl.Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1

nearest known ligand 0.82

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 Petunidin. 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
▸ DPP4 known ✓ P27487 3/20 0.72
▸ MAOA known ✓ P21397 1/20 0.72
▸ EGFR known ✓ P00533 2/20 0.60
▸ KDR known ✓ P35968 2/20 0.60
▸ GAA known ✓ P10253 1/20 0.39
▸ CD38 P28907 11/20 0.82
▸ F2 P00734 2/20 0.68
▸ NR1H2 P55055 1/20 0.68
▸ NR1H3 Q13133 1/20 0.68
▸ GLO1 Q04760 5/20 0.67
▸ SNCA P37840 3/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ EP300 Q09472 2/20 0.60
▸ CREBBP Q92793 2/20 0.60
▸ OR51E2 Q9H255 2/20 0.53
▸ MGAM O43451 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39

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
Malvidin SCHEMBL8504053 0.94 CD38 (0.83) CD38DPP4MAOAF2NR1H2
Peonidin SCHEMBL2560105 0.91 CD38 (0.95) CD38DPP4MAOAF2NR1H2
Peonidin SCHEMBL30891536 0.91 CD38 (1.00) CD38DPP4MAOAF2NR1H2
Peonidin SCHEMBL20017 0.91 CD38 (1.00) CD38DPP4MAOAF2NR1H2
Peonidin SCHEMBL29394353 0.91 CD38 (1.00) CD38DPP4MAOAF2NR1H2
Peonidin SCHEMBL20016 0.89 CD38 (0.97) CD38DPP4MAOAF2NR1H2
Petunidin SCHEMBL9120043 0.89 CD38 (0.95) CD38DPP4MAOAF2NR1H2
Peonidin SCHEMBL29403736 0.89 CD38 (0.97) CD38DPP4MAOAF2NR1H2
Petunidin SCHEMBL21650 0.89 CD38 (1.00) CD38DPP4MAOAF2NR1H2
Petunidin SCHEMBL29372982 0.89 CD38 (1.00) CD38DPP4MAOAF2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861487-A HYDROXYLASE ENZYME CAPABLE OF HYDROXYLATING DIHYDROKEMPFEROL, CULTURES OF CELLS AND RECOVERING HYDROLYLASE INTERNATIONAL FLOWER DEVELOPMENTS PTY. LTD. (AU) 1999-01-19 — — US disclosed
US-5569832-A DIHYDROKAEMFEROL (DHK) HYDROXYLATING ENZYME, FLOWER COLOR INTERNATIONAL FLOWER DEVELOPMENTS PTY. LTD. (AU) 1996-10-29 — — US disclosed
US-5349125-A Flower pigmentation INTERNATIONAL FLOWER DEVELOPMENTS PTY. LTD. (AU) 1994-09-20 — — US disclosed
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