Adenosine

Adenosine

SCHEMBL8846731

Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.69

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 1/20 0.54
ADORA2A known ✓ P29274 1/20 0.54
ADORA2B known ✓ P29275 1/20 0.54
ADORA1 known ✓ P30542 1/20 0.54
DTYMK P23919 4/20 0.69
F2 P00734 1/20 0.57
DNMT1 P26358 3/20 0.56
FPR2 P25090 2/20 0.56
DNMT3B Q9UBC3 2/20 0.56
RNASEL Q05823 4/20 0.56
DPP4 P27487 1/20 0.54
MEN1 O00255 1/20 0.54
SLC28A1 O00337 1/20 0.54
MAP3K7 O43318 1/20 0.54
SLC28A2 O43868 1/20 0.54
GAPDH P04406 1/20 0.54
MAPK1 P28482 1/20 0.54
STAT6 P42226 1/20 0.54
PI4KA P42356 1/20 0.54
KMT2A Q03164 1/20 0.54

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 0.94 DTYMK (0.76) DTYMKDNMT1FPR2DNMT3BDPP4
Adenosine SCHEMBL6863617 0.94 DTYMK (0.76) DTYMKDNMT1FPR2DNMT3BDPP4
Adenosine SCHEMBL192733 0.91 ADORA3 (0.63) DTYMKDNMT1FPR2DNMT3BRNASEL
Adenosine SCHEMBL23835231 0.91 DTYMK (0.66) DTYMKDNMT1FPR2DNMT3BDPP4
Adenosine SCHEMBL7101792 0.91 DTYMK (0.66) DTYMKF2DNMT1FPR2DNMT3B
Guanosine SCHEMBL28215356 0.91 F2 (0.60) DTYMKF2DNMT1FPR2DNMT3B
Adenosine SCHEMBL1549514 0.88 DTYMK (0.66) DTYMKDNMT1FPR2DNMT3BDPP4
Deoxyadenosine SCHEMBL20819422 0.87 DTYMK (0.67) DTYMKDNMT1FPR2DNMT3BSMN1; SMN2
Guanosine SCHEMBL11023852 0.87 DTYMK (0.61) DTYMKF2DNMT1FPR2DNMT3B
Doxribtimine SCHEMBL787593 0.87 SLC28A1 (0.65) SLC28A1SLC28A2SMN1; SMN2SLC29A1SLC28A3

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-5616566-A CONTACTING THE HIV REVERSE TRANSCRIPTASE WITHIN THAT CELL WITH 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-04-01 US disclosed
US-5254539-A Method of treating HIV with 2',3'-dideoxyinosine U.S. GOVERNMENT, DEPT. OF HEALTH AND HUMAN SERVICES, C/O NATIONAL INSTITUTES OF HEALTH (US) 1993-10-19 US disclosed
US-4861759-A Antiviral compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1989-08-29 US disclosed