Adenosine

Adenosine

SCHEMBL6863617

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

nearest known ligand 0.76

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 3/20 0.61
ADORA2A known ✓ P29274 1/20 0.61
ADORA2B known ✓ P29275 1/20 0.61
ADORA1 known ✓ P30542 1/20 0.61
DTYMK P23919 4/20 0.76
DNMT1 P26358 7/20 0.62
DNMT3B Q9UBC3 4/20 0.62
FPR2 P25090 3/20 0.62
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
MAPK1 P28482 1/20 0.61
STAT6 P42226 1/20 0.61
PI4KA P42356 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61

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 1.00 DTYMK (0.76) DTYMKDNMT1DNMT3BFPR2ADORA3
Adenosine SCHEMBL8846731 0.94 DTYMK (0.69) DTYMKDNMT1DNMT3BFPR2ADORA3
Deoxyadenosine SCHEMBL20819422 0.93 DTYMK (0.67) DTYMKDNMT1DNMT3BFPR2SMN1; SMN2
Adenosine SCHEMBL23835231 0.92 DTYMK (0.66) DTYMKDNMT1DNMT3BFPR2ADORA3
Adenosine SCHEMBL7101792 0.92 DTYMK (0.66) DTYMKDNMT1DNMT3BFPR2ADORA3
Adenosine SCHEMBL1549514 0.92 DTYMK (0.66) DTYMKDNMT1DNMT3BFPR2ADORA3
Adenosine SCHEMBL3194871 0.89 DTYMK (0.91) DTYMKSMN1; SMN2
Adenosine SCHEMBL574772 0.89 DTYMK (0.63) DTYMKADORA3DPP4MEN1SLC28A1
Adenosine SCHEMBL9710357 0.89 DTYMK (0.66) DTYMKDNMT1DNMT3BFPR2ADORA3
Adenosine SCHEMBL10496357 0.89 DTYMK (0.69) DTYMKDNMT1DNMT3BFPR2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800440-B2 DETECTING GENETIC DISORDER; OBTAIN SAMPLE, DETECT BONE MORPHOGENIC PROTEIN MUTATION, THE PRESENCE OF MUTATION INDICATES GENETIC DISORDER THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2004-10-05 US claimed
US-6800440-B2 DETECTING GENETIC DISORDER; OBTAIN SAMPLE, DETECT BONE MORPHOGENIC PROTEIN MUTATION, THE PRESENCE OF MUTATION INDICATES GENETIC DISORDER THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2004-10-05 US disclosed
US-20020022229-A1 Detecting genetic disorder; obtain sample, detect bone morphogenic protein mutation, the presence of mutation indicates genetic disorder TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2002-02-21 US disclosed
WO-2002004684-A1 ROLE OF PPH1 GENE IN PULMONARY HYPERTENSION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2002-01-17 WO disclosed