Triphosphate

Triphosphate

SCHEMBL8438673

C=CCNc1cc[nH]c(=O)n1.O=P(O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.35

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SLC2A1 P11166 1/20 0.32
P2RY6 Q15077 1/20 0.32
P2RY2 P41231 1/20 0.30

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
SCHEMBL278550 0.85 ALDH1A1 (0.41) HCAR3KDM4EALDH1A1RAB9ASLC2A1
Triphosphate SCHEMBL8441046 0.83 P2RY2 (0.35) HCAR3P2RY6P2RY2
Triphosphate SCHEMBL8441475 0.82 FNTA (0.32) P2RY2
Triphosphate SCHEMBL8440660 0.81 P2RY2 (0.40) HCAR3KDM4EALDH1A1P2RY6P2RY2
Triphosphate SCHEMBL8440665 0.79 FNTA (0.46)
Triphosphate SCHEMBL8436875 0.79 BTN3A1 (0.40) P2RY6P2RY2
Triphosphate SCHEMBL8437845 0.79 FNTA (0.48)
Triphosphate SCHEMBL8436500 0.79 FNTA (0.48)
Triphosphate SCHEMBL8440047 0.79 P2RY2 (0.31) P2RY2
Triphosphate SCHEMBL8435664 0.79 P2RY2 (0.45) HCAR3ALDH1A1P2RY2

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