Adenosine

Adenosine

SCHEMBL3205128

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

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
ADORA1 known ✓ P30542 1/20 0.66
P2RY1 P47900 7/20 0.74
P2RY2 P41231 3/20 0.74
P2RX1 P51575 2/20 0.74
P2RX3 P56373 2/20 0.74
P2RX2 Q9UBL9 2/20 0.74
SRC P12931 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
P2RX4 Q99571 1/20 0.74
ALDH1A1 P00352 1/20 0.74
TRPM2 O94759 2/20 0.72
MACROD2 A1Z1Q3 1/20 0.72
SIRT6 Q8N6T7 1/20 0.72
MACROD1 Q9BQ69 1/20 0.72
DTYMK P23919 2/20 0.71
RNASEL Q05823 1/20 0.71
POLB P06746 1/20 0.68
PARG Q86W56 1/20 0.67
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
SCHEMBL13421164 0.94 P2RY1 (0.83) P2RY1P2RY2P2RX1P2RX3P2RX2
SCHEMBL26031175 0.94 P2RY1 (0.83) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine Triphosphate SCHEMBL22264603 0.92 P2RY1 (0.88) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine SCHEMBL3207685 0.92 P2RY2 (0.70) P2RY1P2RY2P2RX1P2RX3P2RX2
Adenosine Diphosphate SCHEMBL1696509 0.91 P2RY1 (0.86) P2RY1P2RY2P2RX1P2RX3P2RX2
SCHEMBL18785117 0.91 POLB (0.80) P2RY1P2RY2P2RX1P2RX3P2RX2
SCHEMBL5044161 0.91 POLB (0.80) P2RY1P2RY2P2RX1P2RX3P2RX2
SCHEMBL14471000 0.91 POLB (0.80) P2RY1P2RY2P2RX1P2RX3P2RX2
SCHEMBL889289 0.91 POLB (0.80) P2RY1P2RY2P2RX1P2RX3P2RX2
SCHEMBL703733 0.91 POLB (0.80) 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 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