Adenosine Triphosphate

Adenosine Triphosphate

SCHEMBL13858119

CSCCC(N)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

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.74
P2RY1 P47900 6/20 0.72
P2RY2 P41231 2/20 0.72
P2RX1 P51575 2/20 0.72
P2RX3 P56373 2/20 0.72
P2RX2 Q9UBL9 2/20 0.72
SRC P12931 1/20 0.72
P2RX4 Q99571 1/20 0.72
ALDH1A1 P00352 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
MARS1 P56192 3/20 0.71
RNASEL Q05823 1/20 0.69
MACROD2 A1Z1Q3 1/20 0.68
SIRT6 Q8N6T7 1/20 0.68
MACROD1 Q9BQ69 1/20 0.68
TRPM2 O94759 1/20 0.68

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 SCHEMBL13858121 1.00 EZH2 (0.74) EZH2P2RY1P2RY2P2RX1P2RX3
Adenosine Phosphate SCHEMBL15670771 0.93 EZH2 (0.80) EZH2P2RY1P2RY2P2RX1P2RX3
Adenosine Triphosphate SCHEMBL28794921 0.90 P2RY1 (0.75) EZH2P2RY1P2RY2P2RX1P2RX3
Adenosine Triphosphate SCHEMBL4419692 0.90 P2RY1 (0.74) EZH2P2RY1P2RY2P2RX1P2RX3
Adenosine Triphosphate SCHEMBL27722788 0.90 P2RY1 (0.74) EZH2P2RY1P2RY2P2RX1P2RX3
Adenosine Triphosphate SCHEMBL28160534 0.89 P2RY1 (0.79) EZH2P2RY1P2RY2P2RX1P2RX3
Adenosine Triphosphate SCHEMBL17107739 0.88 P2RY1 (0.71) EZH2P2RY1P2RY2P2RX1P2RX3
Adenosine Triphosphate SCHEMBL1837957 0.88 P2RY1 (0.84) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine Triphosphate SCHEMBL28252560 0.88 P2RY1 (0.91) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine Triphosphate SCHEMBL6242713 0.87 P2RY1 (0.94) 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
WO-2012159072-A2 FLUORESCENT MOLECULAR PROBES FOR USE IN ASSAYS THAT MEASURE TEST COMPOUND COMPETITIVE BINDING WITH SAM-UTILIZING PROTEINS CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2012-11-22 WO disclosed