Adenosine

Adenosine

SCHEMBL11061671

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O.O=[N+]([O-])O

nearest known ligand 0.85

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 0.85
ADORA1 known ✓ P30542 4/20 0.85
ADORA2A known ✓ P29274 2/20 0.85
ADORA2B known ✓ P29275 2/20 0.85
SMN1; SMN2 Q16637 2/20 0.85
DPP4 P27487 1/20 0.85
MEN1 O00255 1/20 0.85
SLC28A1 O00337 1/20 0.85
MAP3K7 O43318 1/20 0.85
SLC28A2 O43868 1/20 0.85
GAPDH P04406 1/20 0.85
MAPK1 P28482 1/20 0.85
STAT6 P42226 1/20 0.85
PI4KA P42356 1/20 0.85
KMT2A Q03164 1/20 0.85
PI4K2B Q8TCG2 1/20 0.85
DOT1L Q8TEK3 1/20 0.85
SLC29A1 Q99808 1/20 0.85
PI4K2A Q9BTU6 1/20 0.85
SLC28A3 Q9HAS3 1/20 0.85

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 SCHEMBL11061662 1.00 ADORA3 (0.85) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
Adenosine SCHEMBL5034951 0.95 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
Adenosine SCHEMBL5034955 0.95 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
Adenosine SCHEMBL27728504 0.93 ADORA3 (0.80) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
Adenosine SCHEMBL23420216 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
Adenosine SCHEMBL406207 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
Adenosine SCHEMBL2403819 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
Adenosine SCHEMBL23804425 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
Adenosine SCHEMBL1821276 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2
Adenosine SCHEMBL19107495 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4104462-A Cardioactive adenosine nitrates HOFFMANN-LA ROCHE INC. (US) 1978-08-01 US claimed
CN-114502200-A Antibody drug conjugates 深圳康源久远生物技术有限公司 2022-05-13 CN disclosed
US-4460765-A Enzyme inhibitor produced by cultivation of streptomyces microorganisms SANKYO COMPANY LIMITED (JP) 1984-07-17 US disclosed
US-4104462-A Cardioactive adenosine nitrates HOFFMANN-LA ROCHE INC. (US) 1978-08-01 US disclosed
US-4104462-A Cardioactive adenosine nitrates HOFFMANN-LA ROCHE INC. (US) 1978-08-01 US disclosed
US-4104462-A Cardioactive adenosine nitrates HOFFMANN-LA ROCHE INC. (US) 1978-08-01 US disclosed