Adenosine

Adenosine

SCHEMBL7516483

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.76

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 0.75
ADORA3 known ✓ P0DMS8 1/20 0.75
ADORA2A known ✓ P29274 1/20 0.75
ADORA2B known ✓ P29275 1/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
DPP4 P27487 1/20 0.75
MEN1 O00255 1/20 0.75
SLC28A1 O00337 1/20 0.75
MAP3K7 O43318 1/20 0.75
SLC28A2 O43868 1/20 0.75
GAPDH P04406 1/20 0.75
MAPK1 P28482 1/20 0.75
STAT6 P42226 1/20 0.75
PI4KA P42356 1/20 0.75
KMT2A Q03164 1/20 0.75
PI4K2B Q8TCG2 1/20 0.75
DOT1L Q8TEK3 1/20 0.75
SLC29A1 Q99808 1/20 0.75
PI4K2A Q9BTU6 1/20 0.75
SLC28A3 Q9HAS3 1/20 0.75

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 SCHEMBL3134331 1.00 ADORA1 (0.75) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL3332132 0.99 ADORA1 (0.74) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL3183004 0.99 ADORA1 (0.77) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL2442774 0.99 ADORA1 (0.77) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL3166848 0.98 ADORA1 (0.75) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL926532 0.98 ADORA1 (0.75) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL925631 0.98 ADORA1 (0.75) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL3343948 0.98 ADORA1 (0.75) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL924728 0.98 ADORA1 (0.75) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL10396858 0.97 ADORA1 (0.74) ADORA1SMN1; SMN2DPP4MEN1SLC28A1

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
EP-1179540-A1 NOVEL POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2002-02-13 EP disclosed