Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 14/20 | 0.60 |
| ▸ | PNP | P00491 | 3/20 | 0.54 |
| ▸ | TK1 | P04183 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | VCP | P55072 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7196190 | 0.91 | HPRT1 (0.58) | HPRT1PNPTK1MEN1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL5930250 | 0.90 | HPRT1 (0.57) | HPRT1PNPTK1MEN1ALDH1A1 | |
| SCHEMBL12732295 | 0.89 | HPRT1 (0.57) | HPRT1PNPTK1MEN1ALDH1A1 | |
| Penciclovir SCHEMBL454090 | 0.88 | HPRT1 (0.66) | HPRT1PNPTK1MEN1ALDH1A1 | |
| Penciclovir SCHEMBL4240104 | 0.88 | HPRT1 (0.66) | HPRT1PNPTK1MEN1ALDH1A1 | |
| SCHEMBL12800326 | 0.87 | HPRT1 (0.57) | HPRT1PNPTK1MEN1ALDH1A1 | |
| Penciclovir Triphosphate SCHEMBL1664402 | 0.87 | POLG (0.65) | HPRT1PNPTK1MEN1ALDH1A1 | |
| Penciclovir Triphosphate SCHEMBL30945294 | 0.87 | POLG (0.65) | HPRT1PNPTK1MEN1ALDH1A1 | |
| Penciclovir SCHEMBL3495 | 0.85 | TK1 (0.70) | HPRT1PNPTK1MEN1ALDH1A1 | |
| SCHEMBL15340416 | 0.84 | HPRT1 (0.55) | HPRT1PNP |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0141927-B1 | ANTIVIRAL GUANINE DERIVATIVES | BEECHAM GROUP PLC (GB) | 1991-10-30 | — | — | EP | claimed |
| EP-0152316-B1 | SUBSTITUTED BUTYL GUANINES AND THEIR UTILIZATION IN ANTIVIRAL COMPOSITIONS | MERCK & CO. INC. (US) | 1989-07-26 | — | — | EP | disclosed |
| US-4845084-A | HERPES VIRUSES, AIDS | MERCK & CO., INC. (US) | 1989-07-04 | — | — | US | disclosed |
| EP-0152316-A1 | Substituted butyl guanines and their utilization in antiviral compositions | MERCK & CO. INC. (US) | 1985-08-21 | — | — | EP | disclosed |