Petunidin

Petunidin

SCHEMBL29947229

COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O.[Cl-]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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
CD38 P28907 11/20 0.97
DPP4 P27487 3/20 0.92
MAOA P21397 2/20 0.92
GLO1 Q04760 5/20 0.76
SNCA P37840 3/20 0.76
EGFR P00533 2/20 0.76
KDR P35968 2/20 0.76
EP300 Q09472 2/20 0.76
CREBBP Q92793 2/20 0.76
ALDH1A1 P00352 1/20 0.74
TSHR P16473 1/20 0.74
HSD17B10 Q99714 1/20 0.74
OR51E2 Q9H255 2/20 0.58
F2 P00734 1/20 0.57
NR1H2 P55055 1/20 0.57
NR1H3 Q13133 1/20 0.57
AKR1B1 P15121 1/20 0.35
MAPK8 P45983 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 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.

Compoundsimilaritytop predictedshared targets
Petunidin SCHEMBL30683343 1.00 CD38 (0.97) CD38DPP4MAOAGLO1SNCA
Petunidin SCHEMBL21649 1.00 CD38 (0.97) CD38DPP4MAOAGLO1SNCA
Petunidin SCHEMBL8411777 0.99 CD38 (0.95) CD38DPP4MAOAGLO1SNCA
Petunidin SCHEMBL9120043 0.99 CD38 (0.95) CD38DPP4MAOAGLO1SNCA
Petunidin SCHEMBL29372982 0.99 CD38 (1.00) CD38DPP4MAOAGLO1SNCA
Petunidin SCHEMBL21650 0.99 CD38 (1.00) CD38DPP4MAOAGLO1SNCA
Petunidin SCHEMBL30884156 0.99 CD38 (1.00) CD38DPP4MAOAGLO1SNCA
Malvidin SCHEMBL30683334 0.96 DPP4 (1.00) CD38DPP4MAOAGLO1SNCA
Malvidin SCHEMBL29640416 0.96 DPP4 (1.00) CD38DPP4MAOAGLO1SNCA
Malvidin SCHEMBL308690 0.96 DPP4 (1.00) CD38DPP4MAOAGLO1SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118914413-B Ultra-high performance liquid chromatography-tandem mass spectrometry method for simultaneously detecting 39 kinds of anthocyanin in litchi 海南省农业科学院三亚研究院(海南省实验动物研究中心) 2024-12-03 CN claimed
CN-118914413-A Ultra-high performance liquid chromatography-tandem mass spectrometry method for simultaneously detecting 39 kinds of anthocyanin in litchi 海南省农业科学院三亚研究院(海南省实验动物研究中心) 2024-11-08 CN claimed
CN-118914413-B Ultra-high performance liquid chromatography-tandem mass spectrometry method for simultaneously detecting 39 kinds of anthocyanin in litchi 海南省农业科学院三亚研究院(海南省实验动物研究中心) 2024-12-03 CN disclosed
CN-118914413-A Ultra-high performance liquid chromatography-tandem mass spectrometry method for simultaneously detecting 39 kinds of anthocyanin in litchi 海南省农业科学院三亚研究院(海南省实验动物研究中心) 2024-11-08 CN disclosed
CN-117589540-A Blueberry freeze-dried powder standard substance containing six anthocyanidins and preparation method and application thereof 郑少锋 2024-02-23 CN disclosed
CN-115963195-A Anthocyanin detection method 中国科学院华南植物园 2023-04-14 CN disclosed