Adenosine Triphosphate

Adenosine Triphosphate

SCHEMBL4419692

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

nearest known ligand 0.74

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Adenosine Triphosphate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 1/20 0.66
KCNH2 known ✓ Q12809 1/20 0.66
P2RY1 P47900 7/20 0.74
P2RY2 P41231 3/20 0.74
P2RX1 P51575 3/20 0.74
P2RX3 P56373 3/20 0.74
P2RX2 Q9UBL9 2/20 0.74
SRC P12931 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
ALDH1A1 P00352 2/20 0.74
P2RX4 Q99571 1/20 0.74
RNASEL Q05823 1/20 0.71
TRPM2 O94759 2/20 0.70
MACROD2 A1Z1Q3 1/20 0.70
SIRT6 Q8N6T7 1/20 0.70
MACROD1 Q9BQ69 1/20 0.70
EZH2 Q15910 1/20 0.69
QARS1 P47897 1/20 0.68
DNPH1 O43598 1/20 0.66
PRKAB2 O43741 1/20 0.66

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 SCHEMBL28794921 0.99 P2RY1 (0.75) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine Triphosphate SCHEMBL27722788 0.98 P2RY1 (0.74) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine Triphosphate SCHEMBL17107739 0.96 P2RY1 (0.71) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine Phosphate SCHEMBL15670584 0.92 P2RY1 (0.78) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine Triphosphate SCHEMBL28160534 0.91 P2RY1 (0.79) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine Triphosphate SCHEMBL3513897 0.91 P2RY1 (0.63) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine Triphosphate SCHEMBL5917790 0.90 P2RY1 (0.80) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine Triphosphate SCHEMBL29375927 0.90 P2RY1 (0.93) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine Triphosphate SCHEMBL7200593 0.90 P2RY1 (0.93) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine Triphosphate SCHEMBL13858121 0.90 EZH2 (0.74) P2RY1P2RY2P2RX1P2RX3P2RX2

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-20090162881-A1 METHOD OF MEASURING ADENINE NUCLEOTIDE MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2009-06-25 US disclosed