Adenosine

Adenosine

SCHEMBL3043097

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

nearest known ligand 0.58

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 1/20 0.55
ADORA2A known ✓ P29274 1/20 0.55
ADORA2B known ✓ P29275 1/20 0.55
P2RY2 P41231 4/20 0.58
SMN1; SMN2 Q16637 3/20 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 SCHEMBL27686613 0.94 P2RY2 (0.65) P2RY2ADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL9419203 0.92 ADORA1 (0.63) P2RY2ADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL18953147 0.91 P2RY2 (0.62) P2RY2ADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL28057366 0.89 ADORA1 (0.67) P2RY2ADORA1SMN1; SMN2DPP4MEN1
Adenosine Diphosphate SCHEMBL30751027 0.88 P2RY1 (0.72) P2RY2ADORA1SMN1; SMN2P2RY1SRC
Adenosine Diphosphate SCHEMBL22498771 0.88 P2RY1 (0.72) P2RY2ADORA1SMN1; SMN2P2RY1SRC
Adenosine Diphosphate SCHEMBL424711 0.88 P2RY1 (0.72) P2RY2ADORA1SMN1; SMN2P2RY1SRC
Adenosine SCHEMBL21067523 0.88 P2RY2 (0.62) P2RY2ADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL2327105 0.87 ADORA3 (0.72) P2RY2ADORA1SMN1; SMN2DPP4MEN1
Adenosine SCHEMBL26612876 0.87 ADORA3 (0.72) P2RY2ADORA1SMN1; SMN2DPP4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741295-B2 Sir2 products and activities ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-06-22 US disclosed
EP-1453848-A4 SIR2 PRODUCTS AND ACTIVITIES EINSTEIN COLL MED (US) 2009-09-09 EP disclosed
US-20090068695-A1 Sir2 products and activities NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 US disclosed
US-7432246-B2 Sir2 products and activities ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-10-07 US disclosed
US-20060058520-A1 Detecting activity of a Silent information regulator 2 by combining the composition with adenosine 5'-diphosphate and an acetylated Sir2 peptide substrate to deacetylate the peptide, and identifying 2'/3'-O-acetyl-ADP-ribose in the mixture to determine the presence of Sir2 activity ALBERT EINSTEIN COLLEGE OF MEDICINE 2006-03-16 US disclosed
US-6987091-B2 Sir2 products and activities ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2006-01-17 US disclosed
EP-1453848-A2 SIR2 PRODUCTS AND ACTIVITIES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2004-09-08 EP disclosed
US-20030149261-A1 Sir2 products and activities NATIONAL INSTITUTES OF HEALTH 2003-08-07 US disclosed
WO-2003045907-A2 SIR2 PRODUCTS AND ACTIVITIES ALBERT EINSTEIN COLLEGE OF MEDECINE OF YESHIVA UNIVERSITY (US) 2003-06-05 WO disclosed