Adenosine

Adenosine

SCHEMBL1845383

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

nearest known ligand 0.65

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 2/20 0.58
▸ ADORA3 known ✓ P0DMS8 1/20 0.58
▸ ADORA2A known ✓ P29274 1/20 0.58
▸ ADORA2B known ✓ P29275 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ DPP4 P27487 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ SLC28A1 O00337 1/20 0.58
▸ MAP3K7 O43318 1/20 0.58
▸ SLC28A2 O43868 1/20 0.58
▸ GAPDH P04406 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ STAT6 P42226 1/20 0.58
▸ PI4KA P42356 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ PI4K2B Q8TCG2 1/20 0.58
▸ DOT1L Q8TEK3 1/20 0.58
▸ SLC29A1 Q99808 1/20 0.58
▸ PI4K2A Q9BTU6 1/20 0.58

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 SCHEMBL18917562 0.91 RXFP1 (0.74) RXFP1ADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL28608116 0.90 ADORA1 (0.70) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL31375407 0.90 ADORA1 (0.70) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine Triphosphate SCHEMBL1948818 0.89 RXFP1 (0.70) RXFP1KMT2AP2RY1P2RY11TSHR
Adenosine Triphosphate SCHEMBL1948824 0.88 P2RY1 (0.71) RXFP1SMN1; SMN2P2RY1P2RY11TSHR
Adenosine SCHEMBL8378802 0.87 SMN1; SMN2 (0.68) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL3183004 0.87 ADORA1 (0.77) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL2442774 0.87 ADORA1 (0.77) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL5903597 0.86 ADORA1 (0.75) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
Adenosine SCHEMBL3134331 0.86 ADORA1 (0.75) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321330-B1 METHOD FOR PRODUCING PHOSPHATE-BRIDGED NUCLEOSIDE CONJUGATES UNIVERSITÄT HAMBURG (DE) 2014-08-06 — — EP disclosed
EP-2321330-A1 METHOD FOR PRODUCING PHOSPHATE-BRIDGED NUCLEOSIDE CONJUGATES Universität Hamburg (DE) 2011-05-18 — — EP disclosed
WO-2010015245-A1 METHOD FOR PRODUCING PHOSPHATE-BRIDGED NUCLEOSIDE CONJUGATES UNIVERSITÄT HAMBURG (DE) 2010-02-11 — — WO disclosed
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