Adenosine

Adenosine

SCHEMBL28166606

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.OCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.78

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
ADORA1 known ✓ P30542 3/20 0.78
ADORA3 known ✓ P0DMS8 2/20 0.78
ADORA2A known ✓ P29274 2/20 0.78
ADORA2B known ✓ P29275 1/20 0.78
SLC29A1 Q99808 3/20 0.78
MAPK1 P28482 2/20 0.78
DPP4 P27487 1/20 0.78
MEN1 O00255 1/20 0.78
SLC28A1 O00337 1/20 0.78
MAP3K7 O43318 1/20 0.78
SLC28A2 O43868 1/20 0.78
GAPDH P04406 1/20 0.78
STAT6 P42226 1/20 0.78
PI4KA P42356 1/20 0.78
KMT2A Q03164 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
PI4K2B Q8TCG2 1/20 0.78
DOT1L Q8TEK3 1/20 0.78
PI4K2A Q9BTU6 1/20 0.78
SLC28A3 Q9HAS3 1/20 0.78

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
SCHEMBL20579787 0.94 SLC29A1 (0.79) SLC29A1ADORA1MAPK1ADORA3ADORA2A
SCHEMBL16010153 0.94 SLC29A1 (0.79) SLC29A1ADORA1MAPK1ADORA3ADORA2A
SCHEMBL29364428 0.94 SLC29A1 (0.79) SLC29A1ADORA1MAPK1ADORA3ADORA2A
SCHEMBL17470300 0.94 SLC29A1 (0.79) SLC29A1ADORA1MAPK1ADORA3ADORA2A
SCHEMBL899687 0.94 SLC29A1 (0.79) SLC29A1ADORA1MAPK1ADORA3ADORA2A
Adenosine SCHEMBL27931542 0.88 ADORA3 (0.95) SLC29A1ADORA1MAPK1ADORA3ADORA2A
Adenosine SCHEMBL23420216 0.88 ADORA3 (1.00) SLC29A1ADORA1MAPK1ADORA3ADORA2A
Adenosine SCHEMBL1821276 0.88 ADORA3 (1.00) SLC29A1ADORA1MAPK1ADORA3ADORA2A
Adenosine SCHEMBL2228590 0.88 ADORA3 (1.00) SLC29A1ADORA1MAPK1ADORA3ADORA2A
Adenosine SCHEMBL23804425 0.88 ADORA3 (1.00) SLC29A1ADORA1MAPK1ADORA3ADORA2A

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
CN-107129532-A Novel insecticidal target gene acting on insects and application thereof 浙江省亚热带作物研究所 2017-09-05 CN disclosed