Xanthine

Xanthine

SCHEMBL27923402

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

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

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
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
USP2 O75604 1/20 0.39
TP53 P04637 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 SCHEMBL1507586 1.00 GDA (0.96) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL29669592 0.98 GDA (1.00) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL2352524 0.98 GDA (1.00) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL4965 0.98 GDA (1.00) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL2454001 0.96 GDA (0.96) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL31152020 0.96 GDA (0.96) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL31048830 0.96 GDA (0.96) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL7044227 0.96 GDA (0.96) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL7849418 0.96 GDA (0.96) GDAACHEABL1RIN1ADORA2B
Xanthine SCHEMBL7044230 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107485003-A Delicate flavour flavor enhancement based on hesperetin 成都康辉生物科技有限公司 2017-12-19 CN disclosed
CN-105326003-A Flavor enhancer and preparation method thereof CHENGDU BAIWEIFANG TRADE CO LTD 2016-02-17 CN disclosed
CN-102077966-B Complex nutritional flavorous enhancer DONGGUAN BAIWEIJIA FOOD CO LTD 2013-06-05 CN disclosed