Acyclovir

Acyclovir

SCHEMBL689108

CCCCCC(=O)O.Nc1nc2c(ncn2COCCO)c(=O)[nH]1

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.74
HBB P68871 2/20 0.74
BLM P54132 2/20 0.74
USP2 O75604 1/20 0.74
TSHR P16473 1/20 0.74
EDNRA P25101 1/20 0.74
HTR2A P28223 1/20 0.74
RECQL P46063 1/20 0.74
HSD17B10 Q99714 1/20 0.74
HPRT1 P00492 6/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPK1 P28482 1/20 0.58
POLG P54098 1/20 0.55
TK1 P04183 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
NFKB1 P19838 1/20 0.54
VCP P55072 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
Acyclovir SCHEMBL18529423 0.99 PNP (0.73) PNPHBBBLMUSP2TSHR
Palmitic Acid SCHEMBL18529399 0.99 PNP (0.73) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL2817609 0.97 PNP (0.76) PNPHBBBLMUSP2TSHR
Oleic Acid SCHEMBL1230441 0.94 PNP (0.66) PNPHBBBLMUSP2TSHR
Oleic Acid SCHEMBL1230444 0.94 PNP (0.66) PNPHBBBLMUSP2TSHR
Elaidic Acid SCHEMBL1230565 0.94 PNP (0.66) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL20567690 0.93 PNP (0.79) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL28448833 0.93 PNP (0.83) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL9224824 0.91 PNP (0.86) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL9479083 0.88 PNP (0.93) PNPHBBBLMUSP2TSHR

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
WO-2012110672-A1 PHARMACEUTICAL COMPOSITION OF ACYCLOVIR PRODRUGS FOR TOPICAL USE UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2012-08-23 WO disclosed
WO-2012110672-A1 PHARMACEUTICAL COMPOSITION OF ACYCLOVIR PRODRUGS FOR TOPICAL USE UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2012-08-23 WO disclosed
EP-2184286-B1 Process for the manufacture of acyclovir pro-drugs COGNIS IP MAN GMBH (DE) 2012-02-29 EP disclosed
EP-2184286-A1 Process for the manufacture of acyclovir pro-drugs Cognis IP Management GmbH (DE) 2010-05-12 EP disclosed