Triphosphate

Triphosphate

SCHEMBL8435664

CCCCNc1cc[nH]c(=O)n1.O=P(O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 2/20 0.45
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
TLR8 Q9NR97 2/20 0.38
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
ELANE P08246 2/20 0.36
HCAR3 P49019 1/20 0.36
CNR1 P21554 2/20 0.35
CREBBP Q92793 1/20 0.35
MAPK8 P45983 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Triphosphate SCHEMBL8440660 0.92 P2RY2 (0.40) P2RY2CHRNB2CHRNB4CHRNA3CHRNA4
Triphosphate SCHEMBL8441046 0.87 P2RY2 (0.35) P2RY2ELANEHCAR3CNR1
SCHEMBL29509040 0.85 TLR8 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4TLR8
Triphosphate SCHEMBL8436875 0.83 BTN3A1 (0.40) P2RY2
SCHEMBL606375 0.81 ELANE (0.46) TLR8ELANEHCAR3CNR1XDH
Triphosphate SCHEMBL7818664 0.80 P2RY2 (0.35) P2RY2
SCHEMBL5788121 0.80 ELANE (0.48) TLR8ELANEHCAR3XDHDNM2
Triphosphate SCHEMBL8439930 0.79 FNTA (0.35) P2RY2
Triphosphate SCHEMBL8441475 0.79 FNTA (0.32) P2RY2
Triphosphate SCHEMBL8438673 0.79 HCAR3 (0.35) P2RY2HCAR3ALDH1A1

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