Adenosine Triphosphate

Adenosine Triphosphate

SCHEMBL7709477

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

nearest known ligand 0.72

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.72
P2RX1 P51575 4/20 0.72
P2RX3 P56373 4/20 0.72
P2RY2 P41231 3/20 0.72
P2RX2 Q9UBL9 2/20 0.72
SRC P12931 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
ALDH1A1 P00352 2/20 0.72
P2RX4 Q99571 1/20 0.72
RNASEL Q05823 1/20 0.69
TRPM2 O94759 2/20 0.68
MACROD2 A1Z1Q3 1/20 0.68
SIRT6 Q8N6T7 1/20 0.68
MACROD1 Q9BQ69 1/20 0.68
DNPH1 O43598 1/20 0.64
PRKAB2 O43741 1/20 0.64
LDHA P00338 1/20 0.64
ADRB2 P07550 1/20 0.64
FBP1 P09467 1/20 0.64
ADORA1 P30542 1/20 0.64

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 SCHEMBL27718390 1.00 P2RY1 (0.72) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Diphosphate SCHEMBL27614291 0.99 P2RY1 (0.71) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Diphosphate SCHEMBL6046207 0.99 P2RY1 (0.71) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Diphosphate SCHEMBL584344 0.99 P2RY1 (0.71) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Diphosphate SCHEMBL28200474 0.98 P2RY1 (0.70) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Triphosphate SCHEMBL27776323 0.98 P2RY1 (0.73) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Diphosphate SCHEMBL424711 0.97 P2RY1 (0.72) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Diphosphate SCHEMBL22498771 0.97 P2RY1 (0.72) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Diphosphate SCHEMBL30751027 0.97 P2RY1 (0.72) P2RY1P2RX1P2RX3P2RY2P2RX2
Adenosine Diphosphate SCHEMBL28987699 0.96 P2RY1 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350987-B1 Enzymatic reaction mechanisms by quenched-flow mass spectrometry NORTHRUP DEXTER B (US) 2002-02-26 US disclosed