Adenosine

Adenosine

SCHEMBL8023428

Nc1ncnc2[nH]cnc12.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.64

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 3/20 0.64
ADORA2A known ✓ P29274 1/20 0.64
ADORA2B known ✓ P29275 1/20 0.64
ADORA1 known ✓ P30542 1/20 0.64
SLC28A1 O00337 2/20 0.64
SLC28A2 O43868 2/20 0.64
SLC29A1 Q99808 2/20 0.64
SLC28A3 Q9HAS3 2/20 0.64
DOT1L Q8TEK3 2/20 0.64
DPP4 P27487 1/20 0.64
MEN1 O00255 1/20 0.64
MAP3K7 O43318 1/20 0.64
GAPDH P04406 1/20 0.64
MAPK1 P28482 1/20 0.64
STAT6 P42226 1/20 0.64
PI4KA P42356 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
PI4K2B Q8TCG2 1/20 0.64
PI4K2A Q9BTU6 1/20 0.64

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 SCHEMBL8351411 0.93 ADORA3 (0.74) ADORA3SLC28A1SLC28A2SLC29A1SLC28A3
Adenosine SCHEMBL2248919 0.93 ADORA3 (0.74) ADORA3SLC28A1SLC28A2SLC29A1SLC28A3
Adenosine SCHEMBL8023430 0.90 ADORA3 (0.61) ADORA3SLC28A1SLC28A2SLC29A1SLC28A3
Adenosine SCHEMBL9591334 0.89 ADORA3 (0.67) ADORA3SLC28A1SLC28A2SLC29A1SLC28A3
Adenosine SCHEMBL536558 0.89 ADORA3 (0.81) ADORA3SLC28A1SLC28A2SLC29A1SLC28A3
Vidarabine SCHEMBL27371675 0.89 ADORA3 (0.81) ADORA3SLC28A1SLC28A2SLC29A1SLC28A3
Adenosine SCHEMBL438282 0.85 ADORA3 (0.55) ADORA3SLC28A1SLC28A2SLC29A1SLC28A3
Adenosine SCHEMBL192733 0.85 ADORA3 (0.63) ADORA3SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL22612675 0.85 RNASEL (0.70) ADORA3SLC28A1SLC28A2SLC29A1SLC28A3
Inosine SCHEMBL21840403 0.83 ADORA3 (0.72) ADORA3SLC28A1SLC28A2SLC29A1SLC28A3

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-6017736-A HIGH YIELD PROCESS BY BASE EXCHANGE REACTION BETWEEN PYRIMIDINE NUCLEOSIDE AND PURINE BASE IN PHOSPHATE ION-CONTAINING AQUEOUS SOLUTION IN PRESENCE OF PURINE AND PYRIMIDINE NUCLEOSIDE PHOSPHORYLASES YUKI GOSEI KOGYO CO., LTD. (JP) 2000-01-25 US disclosed