Adenosine

Adenosine

SCHEMBL3207685

Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.70

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Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3

The experimentally established mechanism targets of Adenosine. 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
P2RY2 P41231 3/20 0.70
P2RY4 P51582 1/20 0.70
P2RY6 Q15077 1/20 0.70
DTYMK P23919 4/20 0.69
POLB P06746 1/20 0.63
P2RY1 P47900 3/20 0.62
SRC P12931 1/20 0.62
P2RX1 P51575 1/20 0.62
P2RX3 P56373 1/20 0.62
P2RX4 Q99571 1/20 0.62
P2RX2 Q9UBL9 1/20 0.62
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MACROD2 A1Z1Q3 1/20 0.61
SIRT6 Q8N6T7 1/20 0.61
MACROD1 Q9BQ69 1/20 0.61
TRPM2 O94759 1/20 0.61
RNASEL Q05823 1/20 0.61
TGM2 P21980 1/20 0.60
FUT5 Q11128 1/20 0.60

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
SCHEMBL26031195 0.95 P2RY2 (0.77) P2RY2P2RY4P2RY6DTYMKPOLB
SCHEMBL13421166 0.95 P2RY2 (0.77) P2RY2P2RY4P2RY6DTYMKPOLB
Deoxyguanosine Triphosphate SCHEMBL5055758 0.93 POLB (0.72) P2RY2P2RY4P2RY6DTYMKPOLB
Adenosine SCHEMBL3205128 0.92 P2RY1 (0.74) P2RY2DTYMKPOLBP2RY1SRC
Guanosine Triphosphate SCHEMBL15656518 0.90 P2RY1 (0.77) P2RY2P2RY1SRCP2RX1P2RX3
SCHEMBL6406298 0.90 P2RY6 (0.81) P2RY2P2RY4P2RY6DTYMKPOLB
Guanosine SCHEMBL20695786 0.90 P2RY2 (0.69) P2RY2P2RY1SRCP2RX1P2RX3
SCHEMBL18521831 0.90 RNASEL (0.62) P2RY2P2RY4P2RY6DTYMKPOLB
SCHEMBL18521832 0.90 RNASEL (0.62) P2RY2P2RY4P2RY6DTYMKPOLB
SCHEMBL18510887 0.90 RNASEL (0.62) P2RY2P2RY4P2RY6DTYMKPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7682809-B2 Direct ATP release sequencing AGILENT TECHNOLOGIES, INC. (US) 2010-03-23 US claimed
US-20090181374-A1 DIRECT ATP RELEASE SEQUENCING AGILENT TECHNOLOGIES, INC. 2009-07-16 US claimed
US-7682809-B2 Direct ATP release sequencing AGILENT TECHNOLOGIES, INC. (US) 2010-03-23 US disclosed
US-20090181374-A1 DIRECT ATP RELEASE SEQUENCING AGILENT TECHNOLOGIES, INC. 2009-07-16 US disclosed