Adenosine

Adenosine

SCHEMBL8577634

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CCC(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.71

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 4/20 0.71
ADORA1 known ✓ P30542 3/20 0.71
ADORA2A known ✓ P29274 2/20 0.71
ADORA2B known ✓ P29275 2/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
DPP4 P27487 1/20 0.71
MEN1 O00255 1/20 0.71
SLC28A1 O00337 1/20 0.71
MAP3K7 O43318 1/20 0.71
SLC28A2 O43868 1/20 0.71
GAPDH P04406 1/20 0.71
MAPK1 P28482 1/20 0.71
STAT6 P42226 1/20 0.71
PI4KA P42356 1/20 0.71
KMT2A Q03164 1/20 0.71
PI4K2B Q8TCG2 1/20 0.71
DOT1L Q8TEK3 1/20 0.71
SLC29A1 Q99808 1/20 0.71
PI4K2A Q9BTU6 1/20 0.71
SLC28A3 Q9HAS3 1/20 0.71

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
SCHEMBL14178285 0.96 PLA2G2A (0.68) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL2790606 0.96 PLA2G2A (0.68) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL15297005 0.96 PLA2G2A (0.68) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL16945765 0.96 PLA2G2A (0.68) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
Adenosine SCHEMBL15538483 0.96 ADORA1 (0.65) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
Adenosine SCHEMBL2985961 0.92 ADORA3 (0.85) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL3429291 0.91 PLA2G2A (0.69) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL16945766 0.91 PLA2G2A (0.69) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL15538484 0.88 PRKACA (0.66) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL13869231 0.88 PRKACA (0.69) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0935466-A1 METHOD AND COMPOSITION FOR INHIBITING CELLULAR IRREVERSIBLE CHANGES DUE TO STRESS Galileo Laboratories, Inc. (US) 1999-08-18 EP disclosed
WO-1997030713-A1 METHOD AND COMPOSITION FOR INHIBITING CELLULAR IRREVERSIBLE CHANGES DUE TO STRESS GALILEO LABORATORIES, INC. (US) 1997-08-28 WO disclosed