Xanthine

Xanthine

SCHEMBL8159665

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

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.72
GDA Q9Y2T3 1/20 0.72
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
ADORA2A P29274 2/20 0.37
ADORA2B P29275 1/20 0.37
PIM1 P11309 1/20 0.36
DAO P14920 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PNP P00491 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
DPYD Q12882 1/20 0.34
GAA P10253 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP19A1 P11511 1/20 0.34

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 SCHEMBL4965 0.85 GDA (1.00) ACHEGDAABL1RIN1ADORA2A
Xanthine SCHEMBL2352524 0.85 GDA (1.00) ACHEGDAABL1RIN1ADORA2A
Xanthine SCHEMBL29669592 0.85 GDA (1.00) ACHEGDAABL1RIN1ADORA2A
Hypoxanthine SCHEMBL28275163 0.83 ACHE (0.47) ACHEGDAABL1RIN1ADORA2A
Xanthine SCHEMBL7849418 0.83 GDA (0.96) ACHEGDAABL1RIN1ADORA2A
Xanthine SCHEMBL2454001 0.83 GDA (0.96) ACHEGDAABL1RIN1ADORA2A
Xanthine SCHEMBL31152020 0.83 GDA (0.96) ACHEGDAABL1RIN1ADORA2A
Xanthine SCHEMBL7044230 0.83 GDA (0.96) ACHEGDAABL1RIN1ADORA2A
Xanthine SCHEMBL7044227 0.83 GDA (0.96) ACHEGDAABL1RIN1ADORA2A
Xanthine SCHEMBL31488667 0.83 GDA (0.96) ACHEGDAABL1RIN1ADORA2A

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
WO-2000061749-A1 CELLULAR PROTEIN P60 THAT INTERACTS WITH HERPESVIRUS REGULATORY PROTEINS ARCH DEVELOPMENT CORPORATION (US) 2000-10-19 WO disclosed