SCHEMBL21281726

SCHEMBL21281726

CP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.89
P2RY2 P41231 3/20 0.89
P2RX1 P51575 2/20 0.89
P2RX3 P56373 2/20 0.89
ALDH1A1 P00352 2/20 0.89
SRC P12931 2/20 0.89
SMN1; SMN2 Q16637 2/20 0.89
P2RX4 Q99571 1/20 0.89
P2RX2 Q9UBL9 1/20 0.89
TRPM2 O94759 2/20 0.83
MACROD2 A1Z1Q3 1/20 0.83
SIRT6 Q8N6T7 1/20 0.83
MACROD1 Q9BQ69 1/20 0.83
TAS1R3 Q7RTX0 2/20 0.79
TAS1R1 Q7RTX1 2/20 0.79
DNPH1 O43598 1/20 0.79
PRKAB2 O43741 1/20 0.79
LDHA P00338 1/20 0.79
ADRB2 P07550 1/20 0.79
FBP1 P09467 1/20 0.79

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
SCHEMBL13550321 1.00 P2RY1 (0.89) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL13548849 1.00 P2RY1 (0.89) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL15702880 1.00 P2RY1 (0.89) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL16408122 1.00 P2RY1 (0.89) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL16408487 1.00 P2RY1 (0.89) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL26596813 1.00 P2RY1 (0.89) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL15461708 0.99 P2RY1 (0.91) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL4363130 0.94 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL849869 0.94 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL21067711 0.94 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1

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
US-20190257781-A1 GLUCOSE REDOX REACTION AND COMPOSITION FOR GLUCOSE MEASUREMENT USING FLAVIN COMPOUND (AS AMENDED) KIKKOMAN CORPORATION (JP) 2019-08-22 US disclosed