Adenosine

Adenosine

SCHEMBL7101792

Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=c1cc[nH]c(=O)[nH]1

nearest known ligand 0.66

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
ADORA3 known ✓ P0DMS8 1/20 0.52
ADORA2A known ✓ P29274 1/20 0.52
ADORA2B known ✓ P29275 1/20 0.52
ADORA1 known ✓ P30542 1/20 0.52
DTYMK P23919 4/20 0.66
DNMT1 P26358 8/20 0.54
DNMT3B Q9UBC3 4/20 0.54
FPR2 P25090 3/20 0.54
DPP4 P27487 1/20 0.52
MEN1 O00255 1/20 0.52
SLC28A1 O00337 1/20 0.52
MAP3K7 O43318 1/20 0.52
SLC28A2 O43868 1/20 0.52
GAPDH P04406 1/20 0.52
MAPK1 P28482 1/20 0.52
STAT6 P42226 1/20 0.52
PI4KA P42356 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52

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 SCHEMBL6863617 0.92 DTYMK (0.76) DTYMKDNMT1DNMT3BFPR2DPP4
Adenosine SCHEMBL531208 0.92 DTYMK (0.76) DTYMKDNMT1DNMT3BFPR2DPP4
Adenosine SCHEMBL8846731 0.91 DTYMK (0.69) DTYMKDNMT1DNMT3BFPR2DPP4
Adenosine SCHEMBL1549514 0.90 DTYMK (0.66) DTYMKDNMT1DNMT3BFPR2DPP4
Adenosine SCHEMBL23835231 0.87 DTYMK (0.66) DTYMKDNMT1DNMT3BFPR2DPP4
Deoxyadenosine SCHEMBL20819422 0.86 DTYMK (0.67) DTYMKDNMT1DNMT3BFPR2SMN1; SMN2
Adenosine SCHEMBL17363794 0.85 ADORA3 (0.72) DNMT1DNMT3BDPP4MEN1SLC28A1
Adenosine SCHEMBL192733 0.84 ADORA3 (0.63) DTYMKDNMT1DNMT3BFPR2DPP4
Guanosine SCHEMBL28215356 0.83 F2 (0.60) DTYMKDNMT1DNMT3BFPR2F2
Guanosine SCHEMBL11023852 0.83 DTYMK (0.61) DTYMKDNMT1DNMT3BFPR2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500066-A 2003-01-07 JP claimed
EP-1185704-A2 DETECTION SYSTEM FOR ANALYZING MOLECULAR INTERACTIONS, PRODUCTION AND UTILIZATION THEREOF Phylos, Inc. (US) 2002-03-13 EP claimed
WO-2000071749-A2 DETECTION SYSTEM FOR ANALYZING MOLECULAR INTERACTIONS, PRODUCTION AND UTILIZATION THEREOF XZILLION GMBH & CO. KG (DE) 2000-11-30 WO claimed