Valacyclovir

Valacyclovir

SCHEMBL20570801

CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21.Nc1nc(=O)c2ncn(CCC(CO)CO)c2[nH]1

nearest known ligand 0.75

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
HBB P68871 2/20 0.74
MAPK1 P28482 1/20 0.74
PDE3A Q14432 1/20 0.59
PNP P00491 7/20 0.54
BLM P54132 2/20 0.54
TSHR P16473 2/20 0.54
USP2 O75604 1/20 0.54
EDNRA P25101 1/20 0.54
HTR2A P28223 1/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HPRT1 P00492 5/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
VCP P55072 1/20 0.48
SMN1; SMN2 Q16637 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
Famciclovir SCHEMBL20570567 0.89 MEN1 (0.59) MEN1KMT2AHBBMAPK1PDE3A
Penciclovir SCHEMBL5171433 0.88 PNP (0.70) MEN1KMT2AHBBMAPK1PDE3A
Famciclovir SCHEMBL18526964 0.87 MEN1 (0.58) MEN1KMT2AHBBMAPK1PDE3A
Valganciclovir SCHEMBL336814 0.87 PDE3A (0.78) MEN1KMT2AHBBMAPK1PDE3A
Valacyclovir SCHEMBL4656778 0.87 MEN1 (1.00) MEN1KMT2AHBBMAPK1PDE3A
Valacyclovir SCHEMBL13575743 0.87 MEN1 (1.00) MEN1KMT2AHBBMAPK1PDE3A
Valacyclovir SCHEMBL28644 0.87 MEN1 (1.00) MEN1KMT2AHBBMAPK1PDE3A
Valacyclovir SCHEMBL8444387 0.87 MEN1 (1.00) MEN1KMT2AHBBMAPK1PDE3A
Valacyclovir SCHEMBL3938013 0.86 MEN1 (0.94) MEN1KMT2AHBBMAPK1PDE3A
Valacyclovir SCHEMBL7337934 0.86 MEN1 (0.94) MEN1KMT2AHBBMAPK1PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634442-A1 METHODS FOR TREATING AND PREVENTING DISEASES Tets, Viktor, Veniaminovich (US) 2020-04-15 EP claimed
WO-2018217351-A1 METHODS FOR TREATING AND PREVENTING DISEASES TETS VIKTOR VENIAMINOVICH (US) 2018-11-29 WO claimed