Penciclovir

Penciclovir

SCHEMBL15568622

Nc1nc(=O)c2ncn(CCC(CO)CO)c2[nH]1.O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Penciclovir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 13/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
VCP P55072 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TK1 P04183 1/20 0.41
PNP P00491 4/20 0.40

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
Penciclovir SCHEMBL4240103 0.89 HPRT1 (0.47) HPRT1MEN1ALDH1A1LMNACYP3A4
Penciclovir SCHEMBL454089 0.89 HPRT1 (0.47) HPRT1MEN1ALDH1A1LMNACYP3A4
Penciclovir SCHEMBL3494 0.89 TK1 (0.49) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL133681 0.87 TK1 (0.43) HPRT1MEN1ALDH1A1LMNACYP3A4
Water SCHEMBL15532449 0.86 TK1 (0.42) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL769982 0.83 GAA (0.47) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL15046000 0.80 GAA (0.42) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL15257623 0.78 KMT2A (0.42) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL15045959 0.78 GAA (0.43) HPRT1MEN1ALDH1A1LMNACYP3A4
Tiviciclovir SCHEMBL15531845 0.78 BLM (0.45) HPRT1MEN1ALDH1A1LMNACYP3A4

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
WO-2014027006-A1 BIOADHESIVE FORMULATIONS FOR USE IN DRUG DELIVERY EDKO PAZARLAMA TANITIM TICARET LIMITED SIRKETI (TR) 2014-02-20 WO disclosed