Adenosine

Adenosine

SCHEMBL347374

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

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 2/20 0.71
ADORA2A known ✓ P29274 1/20 0.71
ADORA2B known ✓ P29275 1/20 0.71
DOT1L Q8TEK3 2/20 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
SMN1; SMN2 Q16637 1/20 0.71
PI4K2B Q8TCG2 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
Adenosine SCHEMBL29036082 1.00 ADORA3 (0.71) ADORA3DOT1LADORA1DPP4MEN1
Adenosine SCHEMBL26612876 0.97 ADORA3 (0.72) ADORA3DOT1LADORA1DPP4MEN1
Adenosine SCHEMBL2327105 0.97 ADORA3 (0.72) ADORA3DOT1LADORA1DPP4MEN1
Adenosine SCHEMBL28241706 0.96 ADORA3 (0.71) ADORA3DOT1LADORA1DPP4MEN1
Adenosine SCHEMBL28057366 0.94 ADORA1 (0.67) ADORA3DOT1LADORA1DPP4MEN1
Adenosine SCHEMBL27793299 0.91 ADORA3 (0.71) ADORA3DOT1LADORA1DPP4MEN1
Adenosine SCHEMBL9419203 0.91 ADORA1 (0.63) ADORA3DOT1LADORA1DPP4MEN1
Adenosine SCHEMBL28224468 0.91 ADORA3 (0.63) ADORA3DOT1LADORA1DPP4MEN1
Adenosine SCHEMBL8978980 0.91 ADORA1 (0.58) ADORA3DOT1LADORA1DPP4MEN1
Adenosine SCHEMBL27686613 0.90 P2RY2 (0.65) ADORA3DOT1LADORA1DPP4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015404-A1 GENE CLUSTER FOR THURINGIENSIN SYNTHESIS HUAZHONG AGRICULTURAL UNIVERSITY (CN) 2012-01-19 US disclosed
CN-101475948-B Gene cluster for synthesizing thuringiensin UNIV HUAZHONG AGRICULTURAL 2010-11-17 CN disclosed
CN-101475948-A Gene cluster for synthesizing thuringiensin UNIV HUAZHONG AGRICULTURAL (CN) 2009-07-08 CN disclosed