Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 6-Deoxy Penciclovir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.65 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 known ✓ | P08238 | 1/20 | 0.40 |
| ▸ | SRC known ✓ | P12931 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.65 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 3/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.33 |
| ▸ | CDK2 | P24941 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | TK1 | P04183 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| 6-Deoxy Penciclovir SCHEMBL660970 | 0.99 | ALDH1A1 (0.66) | ALDH1A1KDM4EHPGDADRA1AHSD17B10 | |
| 6-Deoxy Penciclovir SCHEMBL29797811 | 0.99 | ALDH1A1 (0.66) | ALDH1A1KDM4EHPGDADRA1AHSD17B10 | |
| SCHEMBL10711562 | 0.92 | KDM4E (0.62) | ALDH1A1KDM4EHPGDADRA1AHSD17B10 | |
| 6-Deoxy Penciclovir SCHEMBL4207112 | 0.91 | KDM4E (0.71) | ALDH1A1KDM4EHPGDADRA1AHSD17B10 | |
| SCHEMBL9763803 | 0.86 | KDM4E (0.58) | ALDH1A1KDM4EHPGDADRA1AHSD17B10 | |
| SCHEMBL9763808 | 0.86 | KDM4E (0.58) | ALDH1A1KDM4EHPGDADRA1AHSD17B10 | |
| SCHEMBL19242423 | 0.85 | KDM4E (0.60) | ALDH1A1KDM4EHPGDADRA1AHSD17B10 | |
| Detiviciclovir SCHEMBL7744996 | 0.84 | KDM4E (0.52) | ALDH1A1KDM4EHPGDADRA1AHSD17B10 | |
| Monoacetyl-6-Deoxy Penciclovir SCHEMBL1878763 | 0.84 | KDM4E (0.89) | ALDH1A1KDM4EHPGDADRA1AHSD17B10 | |
| SCHEMBL1875480 | 0.84 | KDM4E (0.62) | ALDH1A1KDM4EHPGDADRA1AHSD17B10 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100137592-A1 | PROCESS FOR PREPARING PURINE DERIVATIVE | AUROBINDO PHARMA LTD (IN) | 2010-06-03 | — | — | US | disclosed |
| WO-2008072074-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF PURINE DERIVATIVE | AUROBINDO PHARMA LIMITED (IN) | 2008-06-19 | — | — | WO | disclosed |
| EP-1068209-B1 | PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES AND INTERMEDIATES THEREFOR | NOVARTIS INT PHARM LTD (BM) | 2005-09-14 | — | — | EP | disclosed |
| EP-1436335-B1 | METHOD FOR CROSSLINKING HYDROGELS WITH MORPHOLINE-2,3-DIONES | BASF AG (DE) | 2005-01-26 | — | — | EP | disclosed |
| US-6806375-B2 | SUCH AS FAMCICLOVIR AND PENCICLOVIR; REACTING A 2-AMINOPURINE WITH A 1,1-BIS(OXYMETHYL)-1-VINYLMETHYL CARBONATE, ESTER OR PHOSPHATE IN THE PRESENCE OF A PALLADIUM(0) CATALYST | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2004-10-19 | — | — | US | disclosed |
| EP-1068210-B1 | PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES | NOVARTIS INT PHARM LTD (BM) | 2004-06-02 | — | — | EP | disclosed |
| US-20030130512-A1 | Process for the production of purine derivatives and intermediates therefor | DPT LABORATORIES, LTD. | 2003-07-10 | — | — | US | disclosed |
| US-6555685-B1 | Preparing purine derivatives, such as famiciclovir and penciclovir, by reacting, in the presence of a palladium catalyst and ligand; by-product inhibition; efficiency | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2003-04-29 | — | — | US | disclosed |
| US-6437125-B1 | REARRANGEMENT OF N-7 ALKYL GROUP TO THE N-9; PALLADIUM CATALYST AND A (DIPHENYLPHOSPHINO)ALKANE; PENCICLOVIR AND FAMCICLOVIR | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2002-08-20 | — | — | US | disclosed |
| EP-1068209-A1 | PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES AND INTERMEDIATES THEREFOR | SMITHKLINE BEECHAM PLC (GB) | 2001-01-17 | — | — | EP | disclosed |
| EP-1068210-A2 | PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999051603-A1 | PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES AND INTERMEDIATES THEREFOR | SMITHKLINE BEECHAM PLC (GB) | 1999-10-14 | — | — | WO | disclosed |
| WO-1999051604-A2 | PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1999-10-14 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030130512-A1 | Process for the production of purine derivatives and intermediates therefor | TYMP, DPYD, PNP | ADRA1A 4543/4885HDAC6 4542/4885HSP90AA1 4716/4885 |
| US-20100137592-A1 | PROCESS FOR PREPARING PURINE DERIVATIVE | TYMP, PNP, UMPS | ADRA1A 4155/4885HDAC6 4413/4885HSP90AA1 4657/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.