SCHEMBL8439840

SCHEMBL8439840

C=CCC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 3/20 0.49
P2RY1 P47900 3/20 0.46
P2RX3 P56373 2/20 0.46
P2RX4 Q99571 2/20 0.46
P2RX2 Q9UBL9 2/20 0.46
SRC P12931 1/20 0.46
P2RX1 P51575 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RNASEL Q05823 1/20 0.46

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
SCHEMBL8439932 0.91 P2RY2 (0.61) P2RY2P2RY1P2RX3P2RX4P2RX2
SCHEMBL8435811 0.89 P2RY1 (0.44) P2RY2P2RY1P2RX3P2RX4P2RX2
SCHEMBL8440635 0.89 P2RY2 (0.51) P2RY2P2RY1P2RX3P2RX4P2RX2
SCHEMBL8438431 0.88 P2RY2 (0.46) P2RY2P2RY1P2RX3P2RX2
SCHEMBL8436302 0.87 P2RX3 (0.51) P2RY2P2RY1P2RX3P2RX2
SCHEMBL8441079 0.87 P2RY2 (0.47) P2RY2P2RY1P2RX3P2RX4P2RX2
SCHEMBL8435672 0.86 P2RY2 (0.44) P2RY2P2RY1P2RX3P2RX2RNASEL
SCHEMBL8441734 0.86 P2RX3 (0.53) P2RY2P2RX3P2RX2
SCHEMBL8436367 0.85 P2RY2 (0.43) P2RY2P2RY1P2RX3P2RX2RNASEL
SCHEMBL8441096 0.85 P2RY2 (0.43) P2RY2P2RY1P2RX3P2RX2RNASEL

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