Adenosine

Adenosine

SCHEMBL3485281

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

nearest known ligand 0.48

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 0.48
ADORA3 known ✓ P0DMS8 2/20 0.48
ADORA2A known ✓ P29274 1/20 0.48
ADORA2B known ✓ P29275 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
DPP4 P27487 1/20 0.48
MEN1 O00255 1/20 0.48
SLC28A1 O00337 1/20 0.48
MAP3K7 O43318 1/20 0.48
SLC28A2 O43868 1/20 0.48
GAPDH P04406 1/20 0.48
MAPK1 P28482 1/20 0.48
STAT6 P42226 1/20 0.48
PI4KA P42356 1/20 0.48
KMT2A Q03164 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
DOT1L Q8TEK3 1/20 0.48
SLC29A1 Q99808 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
SLC28A3 Q9HAS3 1/20 0.48

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 SCHEMBL5326610 0.90 ADORA3 (0.53) ADORA1SMN1; SMN2ADORA3DPP4MEN1
Adenosine SCHEMBL2221271 0.87 ADORA1 (0.60) ADORA1SMN1; SMN2ADORA3DPP4MEN1
Adenosine SCHEMBL844425 0.86 ADORA1 (0.55) ADORA1SMN1; SMN2ADORA3DPP4MEN1
Adenosine SCHEMBL27722357 0.86 ADORA1 (0.55) ADORA1SMN1; SMN2ADORA3DPP4MEN1
Adenosine SCHEMBL472873 0.85 ADORA1 (0.63) ADORA1SMN1; SMN2ADORA3DPP4MEN1
Demannose SCHEMBL3485284 0.82 P2RY1 (0.51) ADORA1SMN1; SMN2P2RY2P2RY1SRC
Adenosine SCHEMBL29408329 0.81 P2RY2 (0.67) ADORA1SMN1; SMN2ADORA3DPP4MEN1
Demannose SCHEMBL5326616 0.81 PLA2G2A (0.53) ADORA1SMN1; SMN2ADORA3DPP4MEN1
Adenosine SCHEMBL19873983 0.80 ADORA3 (0.75) ADORA1SMN1; SMN2ADORA3DPP4MEN1
Adenosine SCHEMBL16762258 0.80 P2RY2 (0.63) ADORA1SMN1; SMN2ADORA3DPP4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771714-B2 Systems and methods for in vivo measurement of interstitial biological activity, processes and/or compositions MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-07-08 US disclosed
US-20100016697-A1 SYSTEMS AND METHODS FOR IN VIVO MEASUREMENT OF INTERSTITIAL BIOLOGICAL ACTIVITY, PROCESSES AND/OR COMPOSITIONS MUSC Foundation for Research Developement (US) 2010-01-21 US disclosed
EP-2097536-A2 SYSTEMS AND METHODS FOR IN VIVO MEASUREMENT OF INTERSTITIAL BIOLOGICAL ACTIVITY, PROCESSES AND/OR COMPOSITIONS MUSC Foundation For Research Development (US) 2009-09-09 EP disclosed
WO-2008055225-A2 SYSTEMS AND METHODS FOR IN VIVO MEASUREMENT OF INTERSTITIAL BIOLOGICAL ACTIVITY, PROCESSES AND/OR COMPOSITIONS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2008-05-08 WO disclosed
US-20050215937-A1 System and method for filtering leukocytes in cardiac surgery NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-29 US disclosed