SCHEMBL8440907

SCHEMBL8440907

CC[C@@]1(n2cnc3c(=O)[nH]c(=O)[nH]c32)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 8/20 0.42
P2RX2 Q9UBL9 4/20 0.41
P2RY2 P41231 4/20 0.41
P2RY4 P51582 3/20 0.41
P2RX1 P51575 3/20 0.41
P2RX4 Q99571 2/20 0.41
P2RY6 Q15077 2/20 0.39
ENPP1 P22413 2/20 0.39
P2RY1 P47900 2/20 0.39
P2RY11 Q96G91 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TGM2 P21980 1/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
P2RY12 Q9H244 1/20 0.38
FUT5 Q11128 1/20 0.38

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
SCHEMBL8435325 0.93 P2RX3 (0.42) P2RX3P2RX2P2RY2P2RY4P2RX1
SCHEMBL8440833 0.92 P2RX3 (0.44) P2RX3P2RX2P2RY2P2RY4P2RX1
SCHEMBL8436518 0.90 P2RX3 (0.40) P2RX3P2RX2P2RY2P2RY4P2RX1
SCHEMBL8439125 0.90 P2RX3 (0.39) P2RX3P2RX2P2RY2P2RY4P2RX1
SCHEMBL8435820 0.89 P2RX3 (0.40) P2RX3P2RX2P2RY2P2RY4P2RX1
SCHEMBL8436303 0.88 P2RY2 (0.43) P2RX3P2RX2P2RY2P2RY4P2RX1
SCHEMBL8440013 0.86 P2RX3 (0.41) P2RX3P2RX2P2RY2P2RY4P2RX1
SCHEMBL8439668 0.86 P2RX3 (0.36) P2RX3P2RX2P2RY2P2RX1P2RX4
SCHEMBL8435629 0.85 POLG (0.51) P2RX3P2RY2P2RY4P2RX1P2RX4
SCHEMBL8439436 0.85 FNTA (0.37) P2RX3P2RX2P2RX1P2RX4TAS1R3

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
US-5902793-A ADMINISTERING TO MAMMAL GAMMA-MONOALKYL- OR GAMMA-ALKENYL-NUCLEOSIDE OR DEOXYNUCLEOSIDE TRIPHOSPHATE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 1999-05-11 US claimed
US-5902793-A ADMINISTERING TO MAMMAL GAMMA-MONOALKYL- OR GAMMA-ALKENYL-NUCLEOSIDE OR DEOXYNUCLEOSIDE TRIPHOSPHATE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 1999-05-11 US disclosed
US-5639653-A ADMINISTERING MONOALKYL- OR ALKENYL-PYROPHOSPHATE TO MAMMAL TO STIMULATE LYMPHOCYTE CELL GROWTH AND ENHANCE IMMUNE RESPONSE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY, A DIVISION OF YESHIVA UNIVERSTIY (US) 1997-06-17 US disclosed