SCHEMBL8440902

SCHEMBL8440902

CCCC=C(C)CC(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.42
P2RX3 P56373 3/20 0.42
ENPP1 P22413 2/20 0.42
P2RX1 P51575 1/20 0.42
P2RY6 Q15077 1/20 0.42
P2RY11 Q96G91 1/20 0.42
P2RX4 Q99571 1/20 0.42
P2RY12 Q9H244 1/20 0.41
P2RX2 Q9UBL9 2/20 0.41
RNASEL Q05823 1/20 0.40
P2RY2 P41231 1/20 0.39

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
SCHEMBL8437313 0.90 P2RX3 (0.46) P2RY1P2RX3P2RX2RNASELP2RY2
SCHEMBL8440992 0.88 P2RY1 (0.43) P2RY1P2RX3ENPP1P2RX1P2RY6
SCHEMBL8435319 0.88 P2RY1 (0.46) P2RY1P2RX3ENPP1P2RX1P2RY6
SCHEMBL8440898 0.87 P2RY1 (0.47) P2RY1P2RX3ENPP1P2RX1P2RY6
SCHEMBL8435235 0.87 P2RY1 (0.41) P2RY1P2RX3ENPP1P2RX1P2RY6
SCHEMBL8439414 0.87 P2RY1 (0.41) P2RY1P2RX3ENPP1P2RX1P2RY6
SCHEMBL8440822 0.86 P2RX3 (0.47) P2RY1P2RX3ENPP1P2RX1P2RY6
SCHEMBL8439657 0.86 P2RY1 (0.42) P2RY1P2RX3ENPP1P2RX1P2RY6
SCHEMBL8441740 0.85 TGM2 (0.49) P2RY6P2RY2
SCHEMBL8441129 0.85 P2RY2 (0.55) P2RY1P2RX3P2RX1P2RX4P2RX2

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 2 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-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