Adenosine

Adenosine

SCHEMBL9710357

CC(=O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.66

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 0.55
▸ ADORA3 known ✓ P0DMS8 3/20 0.55
▸ ADORA2A known ✓ P29274 1/20 0.55
▸ ADORA2B known ✓ P29275 1/20 0.55
▸ DTYMK P23919 4/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ DPP4 P27487 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ SLC28A1 O00337 1/20 0.55
▸ MAP3K7 O43318 1/20 0.55
▸ SLC28A2 O43868 1/20 0.55
▸ GAPDH P04406 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ STAT6 P42226 1/20 0.55
▸ PI4KA P42356 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PI4K2B Q8TCG2 1/20 0.55
▸ DOT1L Q8TEK3 1/20 0.55
▸ SLC29A1 Q99808 1/20 0.55
▸ PI4K2A Q9BTU6 1/20 0.55

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 SCHEMBL531208 0.89 DTYMK (0.76) DTYMKADORA1ADORA3SMN1; SMN2DPP4
Adenosine SCHEMBL6863617 0.89 DTYMK (0.76) DTYMKADORA1ADORA3SMN1; SMN2DPP4
Adenosine SCHEMBL574772 0.85 DTYMK (0.63) DTYMKADORA1ADORA3SMN1; SMN2DPP4
Adenosine SCHEMBL8846731 0.84 DTYMK (0.69) DTYMKADORA1ADORA3SMN1; SMN2DPP4
SCHEMBL26646277 0.82 ADORA3 (0.62) DTYMKADORA1ADORA3SMN1; SMN2DPP4
Adenosine SCHEMBL23835231 0.82 DTYMK (0.66) DTYMKADORA1ADORA3SMN1; SMN2DPP4
Adenosine SCHEMBL7101792 0.82 DTYMK (0.66) DTYMKADORA1ADORA3SMN1; SMN2DPP4
SCHEMBL25895079 0.82 DTYMK (0.70) DTYMKADORA1SMN1; SMN2F2DNPH1
SCHEMBL25896356 0.82 DTYMK (0.70) DTYMKADORA1SMN1; SMN2F2DNPH1
Adenosine SCHEMBL3194871 0.82 DTYMK (0.91) DTYMKSMN1; SMN2TRPM2SRCP2RY2

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
WO-1992020816-A1 DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF YALE UNIVERSITY (US) 1992-11-26 — — WO disclosed
Send feedback