Adenosine Triphosphate

Adenosine Triphosphate

SCHEMBL27864684

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1.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 0.75

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.74
P2RY2 P41231 3/20 0.74
SRC P12931 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
P2RX1 P51575 2/20 0.74
P2RX3 P56373 2/20 0.74
P2RX2 Q9UBL9 2/20 0.74
P2RX4 Q99571 1/20 0.74
ALDH1A1 P00352 1/20 0.74
RNASEL Q05823 5/20 0.71
TRPM2 O94759 2/20 0.71
DNPH1 O43598 1/20 0.71
PRKAB2 O43741 1/20 0.71
LDHA P00338 1/20 0.71
ADRB2 P07550 1/20 0.71
FBP1 P09467 1/20 0.71
ADORA1 P30542 1/20 0.71
PRKAG1 P54619 1/20 0.71
PRKAA2 P54646 1/20 0.71
PDE4D Q08499 1/20 0.71

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
Guanosine Triphosphate SCHEMBL15656518 0.98 P2RY1 (0.77) P2RY1P2RY2SRCSMN1; SMN2P2RX1
Adenosine Diphosphate SCHEMBL27864681 0.98 P2RY1 (0.75) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL29462362 0.96 P2RY1 (0.80) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL29658869 0.96 P2RY1 (0.80) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL6438242 0.96 P2RY1 (0.80) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL29450799 0.96 P2RY1 (0.80) P2RY1P2RY2SRCSMN1; SMN2P2RX1
E626 SCHEMBL23629621 0.94 P2RY1 (0.80) P2RY1P2RY2SRCSMN1; SMN2P2RX1
E626 SCHEMBL7126082 0.94 P2RY1 (0.80) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL20695785 0.94 P2RY1 (0.69) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL28194274 0.93 P2RY1 (0.74) P2RY1P2RY2SRCSMN1; SMN2P2RX1

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
CN-102565364-A Determination method for ammonia (ammonia ions) and ammonia (ammonia ion) diagnostic/assay kit SUZHOU ANJ BIOTECH CO LTD 2012-07-11 CN claimed
CN-102565364-A Determination method for ammonia (ammonia ions) and ammonia (ammonia ion) diagnostic/assay kit SUZHOU ANJ BIOTECH CO LTD 2012-07-11 CN disclosed