Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Water SCHEMBL27503854 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL284806 | 0.97 | — | — | |
| SCHEMBL29615225 | 0.97 | — | — | |
| SCHEMBL471892 | 0.97 | ALDH1A1 (0.50) | — | |
| SCHEMBL344175 | 0.97 | — | — | |
| SCHEMBL22598 | 0.97 | — | — | |
| Alcohol SCHEMBL2026949 | 0.95 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL3333430 | 0.94 | — | — | |
| Methyl Alcohol SCHEMBL6027936 | 0.94 | ALDH1A1 (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL6891050 | 0.94 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7780992-B2 | Antiviral medicament | ALBAHRI TAREQ ABDULJALIL | 2010-08-24 | — | — | US | disclosed |
| US-20040109899-A1 | Antiviral medicament and method for producing and using the same for the prophylactic and therapeutic treatment of papillomavirus induced tumors, lesions and deseases | ALBAHRI TAREQ ABDULJALIL (KW) | 2004-06-10 | — | — | US | disclosed |
| US-5662903-A | ANTITUMOR AGENTS FOR TREATMENT OF TUMORS CAUSED BY PAPILLOMAVIRUS USING ASPERGILLUS FERMENTATION EXTRACT | GENENCOR INTERNATIONAL, INC. (US) | 1997-09-02 | — | — | US | disclosed |
| US-5662902-A | ASPERGILLUS FERMENTATION EXTRACT | GENENCOR INTERNATIONAL, INC. (US) | 1997-09-02 | — | — | US | disclosed |
| US-5562900-A | ASPERGILLUS FERMENTATION EXTRACT | SOLVAY ENZYMES, INC. (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0725646-A1 | COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF VIRAL-INDUCED TUMORS | SOLVAY ENZYMES, INC. (US) | 1996-08-14 | — | — | EP | disclosed |
| US-5500359-A | FERMENTATION, ANTITUMOR AGENTS | SOLVAY ENZYMES, INC. (US) | 1996-03-19 | — | — | US | disclosed |
| WO-1995008998-A1 | COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF VIRAL-INDUCED TUMORS | SOLVAY ENZYMES, INC. (BE) | 1995-04-06 | — | — | WO | disclosed |