Xanthine

Xanthine

SCHEMBL7044230

O=c1[nH]c(=O)c2[nH]cnc2[nH]1.[Pb]

nearest known ligand 0.96

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 3/20 0.96
ACHE P22303 1/20 0.96
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
ADORA2B P29275 6/20 0.46
ADORA2A P29274 3/20 0.46
ALDH1A1 P00352 2/20 0.45
PNP P00491 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
ADORA3 P0DMS8 5/20 0.40
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK3 P27361 1/20 0.39
XDH P47989 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
Xanthine SCHEMBL2352524 0.98 GDA (1.00) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL4965 0.98 GDA (1.00) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL29669592 0.98 GDA (1.00) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL1507586 0.96 GDA (0.96) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL6783299 0.96 GDA (0.96) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL2454001 0.96 GDA (0.96) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL7044227 0.96 GDA (0.96) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL31048830 0.96 GDA (0.96) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL31488667 0.96 GDA (0.96) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL7849418 0.96 GDA (0.96) GDAACHEABL1RIN1ADORA2B

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119715995-A Neutral solvent for dissolving xanthine in soil experiment 山东农业大学 2025-03-28 CN disclosed
CN-114409715-B Novel isohumulone derivative derived from Japanese hedyotis herb, and preparation method and application thereof 中南民族大学 2024-11-15 CN disclosed
CN-114409715-A Novel isocoumarin derivative derived from Japanese snakegourd, and preparation method and application thereof 中南民族大学 2022-04-29 CN disclosed
CN-109507259-A A kind of working electrode and its enzyme biologic sensor system for detecting hypoxanthine and xanthine 宁波大学 2019-03-22 CN disclosed
US-6815213-B1 FOR DETECTING COUNTERFEITING IN MANUFACTURING PROCESSES (FINE CHEMICAL, COSMETIC, PHARMACEUTICAL); NUCLEAR MAGNETIC RESONANCE EUROFINS SCIENTIFIC (FR) 2004-11-09 US disclosed