Adenosine Triphosphate

Adenosine Triphosphate

SCHEMBL27732795

N.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.93

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.93
P2RX1 P51575 4/20 0.93
P2RX3 P56373 4/20 0.93
P2RY2 P41231 3/20 0.93
P2RX2 Q9UBL9 2/20 0.93
SRC P12931 2/20 0.93
SMN1; SMN2 Q16637 2/20 0.93
ALDH1A1 P00352 2/20 0.93
P2RX4 Q99571 1/20 0.93
RNASEL Q05823 1/20 0.87
TRPM2 O94759 2/20 0.86
MACROD2 A1Z1Q3 1/20 0.86
SIRT6 Q8N6T7 1/20 0.86
MACROD1 Q9BQ69 1/20 0.86
TAS1R3 Q7RTX0 2/20 0.82
TAS1R1 Q7RTX1 2/20 0.82
DNPH1 O43598 1/20 0.82
PRKAB2 O43741 1/20 0.82
LDHA P00338 1/20 0.82
ADRB2 P07550 1/20 0.82

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
Adenosine Triphosphate SCHEMBL27732802 1.00 P2RY1 (0.93) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Triphosphate SCHEMBL8979 0.99 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Triphosphate SCHEMBL12789528 0.99 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL9171542 0.99 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2
SCHEMBL376008 0.99 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Triphosphate SCHEMBL13722139 0.99 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Triphosphate SCHEMBL13722152 0.99 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Triphosphate SCHEMBL2227081 0.99 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Triphosphate SCHEMBL20550531 0.99 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Triphosphate SCHEMBL18784961 0.99 P2RY1 (0.94) P2RY1P2RX1P2RX3P2RY2P2RX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102846474-B Device and method for preparing vesica with inner and outer water phase gradient difference UNIV SHENYANG PHARMACEUTICAL 2014-04-09 CN disclosed
CN-102846474-A Device and method for preparing vesica with inner and outer water phase gradient difference UNIV SHENYANG PHARMACEUTICAL 2013-01-02 CN disclosed
CN-101601642-A A kind of vesicle class drug-supplying system and application thereof UNIV SHENYANG PHARMACEUTICAL (CN) 2009-12-16 CN disclosed
CN-101316810-A Ionic liquids BIONIQS LTD (GB) 2008-12-03 CN disclosed