Adenosine

Adenosine

SCHEMBL771467

CC(C)(C)[C@@H]1[C@H](O)[C@@H](CO)O[C@@]1(Cc1ccccc1)n1cnc2c(N)ncnc21.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.59

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 6/20 0.59
ADORA1 known ✓ P30542 5/20 0.59
ADORA2A known ✓ P29274 2/20 0.59
ADORA2B known ✓ P29275 1/20 0.59
SLC29A1 Q99808 5/20 0.59
STAT6 P42226 2/20 0.59
DPP4 P27487 1/20 0.59
MEN1 O00255 1/20 0.59
SLC28A1 O00337 1/20 0.59
MAP3K7 O43318 1/20 0.59
SLC28A2 O43868 1/20 0.59
GAPDH P04406 1/20 0.59
MAPK1 P28482 1/20 0.59
PI4KA P42356 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PI4K2B Q8TCG2 1/20 0.59
DOT1L Q8TEK3 1/20 0.59
PI4K2A Q9BTU6 1/20 0.59
SLC28A3 Q9HAS3 1/20 0.59

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
SCHEMBL5771692 0.91 ADORA3 (0.45) ADORA3ADORA1SLC29A1STAT6ADORA2A
Psicofuranine SCHEMBL7524270 0.81 ADORA3 (0.74) ADORA3ADORA1SLC29A1STAT6ADORA2A
SCHEMBL622587 0.81 ADORA3 (0.49) ADORA3ADORA1SLC29A1STAT6ADORA2A
SCHEMBL30298742 0.80 ADORA3 (0.70) ADORA3ADORA1SLC29A1STAT6ADORA2A
Adenosine SCHEMBL7179819 0.79 ADORA3 (0.62) ADORA3ADORA1SLC29A1STAT6ADORA2A
SCHEMBL8623729 0.78 ADORA3 (0.45) ADORA3ADORA1SLC29A1STAT6ADORA2A
Adenosine SCHEMBL8850176 0.78 ADORA3 (0.74) ADORA3ADORA1SLC29A1STAT6ADORA2A
Adenosine SCHEMBL22323627 0.77 ADORA3 (0.83) ADORA3ADORA1SLC29A1STAT6ADORA2A
Adenosine SCHEMBL27541540 0.77 ADORA3 (0.95) ADORA3ADORA1SLC29A1STAT6ADORA2A
Adenosine SCHEMBL27596954 0.77 ADORA3 (0.95) ADORA3ADORA1SLC29A1STAT6ADORA2A

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-20120070831-A1 Amplification of Distant Nucleic Acid Targets Using Engineered Primers ROCHE MOLECULAR SYSTEMS, INC. (US) 2012-03-22 US disclosed