SCHEMBL31266503

SCHEMBL31266503

Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.83
P2RY2 P41231 3/20 0.83
ADORA1 P30542 2/20 0.83
SRC P12931 2/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
DNPH1 O43598 1/20 0.83
PRKAB2 O43741 1/20 0.83
TRPM2 O94759 1/20 0.83
LDHA P00338 1/20 0.83
ADRB2 P07550 1/20 0.83
FBP1 P09467 1/20 0.83
PRKAG1 P54619 1/20 0.83
PRKAA2 P54646 1/20 0.83
PDE4D Q08499 1/20 0.83
KCNH2 Q12809 1/20 0.83
PRKAA1 Q13131 1/20 0.83
PDE3A Q14432 1/20 0.83
TAS1R3 Q7RTX0 1/20 0.83
TAS1R1 Q7RTX1 1/20 0.83
P2RY11 Q96G91 1/20 0.83

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
SCHEMBL42104 1.00 P2RY1 (0.83) P2RY1P2RY2ADORA1SRCSMN1; SMN2
SCHEMBL21067751 1.00 P2RY1 (0.83) P2RY1P2RY2ADORA1SRCSMN1; SMN2
SCHEMBL1061029 1.00 P2RY1 (0.83) P2RY1P2RY2ADORA1SRCSMN1; SMN2
SCHEMBL29431883 1.00 P2RY1 (0.83) P2RY1P2RY2ADORA1SRCSMN1; SMN2
SCHEMBL15498428 1.00 P2RY1 (0.83) P2RY1P2RY2ADORA1SRCSMN1; SMN2
SCHEMBL23867092 1.00 P2RY1 (0.83) P2RY1P2RY2ADORA1SRCSMN1; SMN2
Water SCHEMBL17159664 0.99 P2RY1 (0.81) P2RY1P2RY2ADORA1SRCSMN1; SMN2
Sulfuric Acid SCHEMBL11187808 0.96 P2RY1 (0.77) P2RY1P2RY2ADORA1SRCSMN1; SMN2
SCHEMBL4360139 0.95 P2RY1 (0.75) P2RY1P2RY2ADORA1SRCSMN1; SMN2
SCHEMBL24059958 0.94 ADORA1 (0.76) P2RY1P2RY2ADORA1SRCSMN1; SMN2

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-119320791-A Application of escherichia coli EcPAPR gene in improving arsenic tolerance of organisms 安徽农业大学 2025-01-17 CN disclosed
CN-119301264-A Method for producing heparan sulfate, heparan sulfate and heparin in yeast 根蒂斯精细化学品有限公司 2025-01-10 CN disclosed
CN-119301264-A Method for producing heparan sulfate, heparan sulfate and heparin in yeast 根蒂斯精细化学品有限公司 2025-01-10 CN disclosed