Valganciclovir

Valganciclovir

SCHEMBL3134972

CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21.CC[C@@H](CO)NCCN[C@@H](CC)CO

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

embA

The experimentally established mechanism targets of Valganciclovir. 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
PDE3A Q14432 1/20 0.62
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HBB P68871 2/20 0.42
BLM P54132 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
VCP P55072 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
BCHE P06276 1/20 0.36
HPRT1 P00492 9/20 0.33
USP2 O75604 1/20 0.31
PNP P00491 1/20 0.31
TSHR P16473 1/20 0.31
EDNRA P25101 1/20 0.31
HTR2A P28223 1/20 0.31

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
(S)-Valganciclovir SCHEMBL28997 0.91 PDE3A (0.74) PDE3AMEN1KMT2AHBBBLM
Valganciclovir SCHEMBL28996 0.91 PDE3A (0.74) PDE3AMEN1KMT2AHBBBLM
Valganciclovir SCHEMBL23225 0.90 PDE3A (0.73) PDE3AMEN1KMT2AHBBBLM
Valganciclovir SCHEMBL1652839 0.89 PDE3A (0.71) PDE3AMEN1KMT2AHBBBLM
Valganciclovir SCHEMBL3237941 0.89 PDE3A (0.70) PDE3AMEN1KMT2AHBBBLM
Valganciclovir SCHEMBL6479139 0.85 PDE3A (0.68) PDE3AMEN1KMT2AHBBBLM
Valganciclovir SCHEMBL1120942 0.84 PDE3A (0.85) PDE3AMEN1KMT2AHBBBLM
Valganciclovir SCHEMBL15251689 0.83 PDE3A (0.83) PDE3AMEN1KMT2AHBBBLM
Valganciclovir SCHEMBL336814 0.80 PDE3A (0.78) PDE3AMEN1KMT2AHBBBLM
Valganciclovir SCHEMBL18837501 0.80 PDE3A (0.77) PDE3AMEN1KMT2AHBBBLM

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-2203192-A1 WOUND CARE FORMULATION Northern Health And Social Care Trust (GB) 2010-07-07 EP disclosed
WO-2009037500-A1 WOUND CARE FORMULATION NORTHERN HEALTH AND SOCIAL CARE TRUST (GB) 2009-03-26 WO disclosed