Deoxyadenosine

Deoxyadenosine

SCHEMBL8028657

Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1.Nc1ncnc2nc[nH]c12

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

P

The experimentally established mechanism targets of Deoxyadenosine. 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
DTYMK P23919 4/20 0.58
HIF1A Q16665 1/20 0.48
FPR2 P25090 1/20 0.47
DNMT1 P26358 1/20 0.47
DNMT3B Q9UBC3 1/20 0.47
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
ALB P02768 1/20 0.46
TK1 P04183 1/20 0.46
PKM P14618 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
CYP2D6 P10635 1/20 0.46
PNP P00491 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3A Q14432 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
Doxribtimine SCHEMBL8366525 0.92 TK1 (0.53) LMNATSHRALBTK1PKM
Doxribtimine SCHEMBL1164058 0.92 TK1 (0.53) LMNATSHRALBTK1PKM
Deoxyadenosine SCHEMBL20819422 0.92 DTYMK (0.67) DTYMKHIF1AFPR2DNMT1DNMT3B
Doxribtimine SCHEMBL9465657 0.91 TK1 (0.51) LMNATSHRALBTK1PKM
Doxribtimine SCHEMBL5964873 0.89 TK1 (0.50) LMNATSHRALBTK1PKM
Deoxyinosine SCHEMBL8026167 0.88 DTYMK (0.49) DTYMKHIF1ALMNATSHRALB
Doxribtimine SCHEMBL28237206 0.88 LMNA (0.51) DTYMKLMNATSHRALBTK1
Doxribtimine SCHEMBL10409131 0.87 LMNA (0.47) DTYMKLMNATSHRALBTK1
Deoxyadenosine SCHEMBL10012867 0.86 DTYMK (0.61) DTYMKHIF1AFPR2DNMT1DNMT3B
Doxribtimine SCHEMBL27149426 0.85 TK1 (0.46) LMNATSHRALBTK1PKM

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
US-6017736-A HIGH YIELD PROCESS BY BASE EXCHANGE REACTION BETWEEN PYRIMIDINE NUCLEOSIDE AND PURINE BASE IN PHOSPHATE ION-CONTAINING AQUEOUS SOLUTION IN PRESENCE OF PURINE AND PYRIMIDINE NUCLEOSIDE PHOSPHORYLASES YUKI GOSEI KOGYO CO., LTD. (JP) 2000-01-25 US disclosed