Adenosine Diphosphate

Adenosine Diphosphate

SCHEMBL11326192

NC(=O)c1cccnc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2nc[nH]c12

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.64
NADK O95544 2/20 0.63
P2RY1 P47900 3/20 0.60
P2RY2 P41231 2/20 0.60
SRC P12931 1/20 0.60
P2RX1 P51575 1/20 0.60
P2RX3 P56373 1/20 0.60
P2RX4 Q99571 1/20 0.60
P2RX2 Q9UBL9 1/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
IMPDH2 P12268 3/20 0.59
IMPDH1 P20839 3/20 0.59
RNASEL Q05823 1/20 0.59
MACROD2 A1Z1Q3 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
MACROD1 Q9BQ69 1/20 0.57
TRPM2 O94759 1/20 0.57
LMNA P02545 1/20 0.57

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 Diphosphate SCHEMBL570243 0.92 ADH1A (0.74) ADH1ANADKP2RY1P2RY2SRC
Adenosine Triphosphate SCHEMBL811698 0.91 ADH1A (0.75) ADH1ANADKP2RY1P2RY2SRC
Adenine SCHEMBL30498936 0.89 ADH1A (0.73) ADH1ANADKP2RY1P2RY2SRC
Adenosine Triphosphate SCHEMBL29025288 0.89 P2RY1 (0.77) P2RY1P2RY2SRCP2RX1P2RX3
Adenosine Phosphate SCHEMBL27419541 0.86 P2RY1 (0.75) ADH1ANADKP2RY1P2RY2SRC
Adenosine Phosphate SCHEMBL160972 0.86 P2RY1 (0.75) ADH1ANADKP2RY1P2RY2SRC
Adenosine Triphosphate SCHEMBL811713 0.86 P2RY1 (0.72) ADH1ANADKP2RY1P2RY2SRC
Adenosine Phosphate SCHEMBL16585584 0.83 P2RY1 (0.80) P2RY1P2RY2SRCP2RX1P2RX3
Adenosine Diphosphate SCHEMBL27798168 0.82 P2RY1 (0.71) P2RY1P2RY2SRCP2RX1P2RX3
Niacinamide SCHEMBL28249016 0.82 ADH1A (0.66) ADH1ANADKP2RY1P2RY2SRC

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-4277562-A Stabilized liquid enzyme and coenzyme compositions MEDICAL ANALYSIS SYSTEMS, INC. 1981-07-07 US claimed