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 SCHEMBL8016864 | 0.82 | — | — | |
| Water SCHEMBL4745291 | 0.82 | — | — | |
| Water SCHEMBL5202167 | 0.82 | — | — | |
| Water SCHEMBL6390838 | 0.82 | — | — | |
| Water SCHEMBL10723406 | 0.82 | — | — | |
| Water SCHEMBL9550839 | 0.82 | — | — | |
| Water SCHEMBL11143608 | 0.82 | — | — | |
| Water SCHEMBL2945815 | 0.82 | — | — | |
| Water SCHEMBL9407235 | 0.82 | — | — | |
| Water SCHEMBL1925962 | 0.82 | — | — |
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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030012824-A1 | Orally administered anti-stress composition | OTT DANA BETH (US) | 2003-01-16 | — | — | US | claimed |
| US-20030013639-A1 | Sleep inducing antacid composition | YURCHAK LISA (US) | 2003-01-16 | — | — | US | claimed |
| EP-0600725-B1 | Pharmaceutical compositions containing a guanidinothiazole and antacids | MCNEIL PPC INC (US) | 1997-09-17 | — | — | EP | claimed |
| EP-0600725-A1 | Pharmaceutical compositions containing a guanidinothiazole and antacids | McNEIL-PPC, INC. (US) | 1994-06-08 | — | — | EP | claimed |
| CN-1086129-A | Novel treatment | SMITHKLINE BEECHAM PLC (GB) | 1994-05-04 | — | — | CN | claimed |
| US-4937076-A | CHOCOLATE OR HYDROGENATED TALLOW AS COATING AND BINDER; STORAGE STABILITY | COMBE INCORPORATED (US) | 1990-06-26 | — | — | US | claimed |
| JP-8169861-A | — | — | None | — | — | JP | disclosed |
| EP-4395753-A1 | FENFLURAMINE FOR TREATMENT OF DEMYELINATING DISEASES AND CONDITIONS | Zogenix International Limited (GB) | 2024-07-10 | — | — | EP | disclosed |
| CN-116751457-A | Preparation method of V1-grade heat-vulcanized flame-retardant silicone rubber | 浙江恒业成新材料有限公司 | 2023-09-15 | — | — | CN | disclosed |
| WO-2023101866-A1 | FENFLURAMINE FOR TREATMENT OF CONDITIONS ASSOCIATED WITH SPREADING DEPOLARIZATION | ZOGENIX INTERNATIONAL LIMITED (GB) | 2023-06-08 | — | — | WO | disclosed |
| US-20230165810-A1 | FENFLURAMINE FOR TREATMENT OF CONDITIONS ASSOCIATED WITH SPREADING DEPOLARIZATION | ZOGENIX INTERNATIONAL LIMITED (GB) | 2023-06-01 | — | — | US | disclosed |
| US-20230078820-A1 | FENFLURAMINE FOR TREATMENT OF DEMYELINATING DISEASES AND CONDITIONS | ZOGENIX INTERNATIONAL LIMITED (GB) | 2023-03-16 | — | — | US | disclosed |
| WO-2023034115-A1 | FENFLURAMINE FOR TREATMENT OF DEMYELINATING DISEASES AND CONDITIONS | ZOGENIX INTERNATIONAL LIMITED (GB) | 2023-03-09 | — | — | WO | disclosed |
| US-4309435-A | HISTAMINE ANTAGONISTS | IMPERIAL CHEMICAL INDUSTRIES LTD. (GB) | 1982-01-05 | — | — | US | disclosed |
| US-4271142-A | CHOCOLATE COATING TO GIVE GOOD MOUTH FEEL AND MASK GRITTINESS | LIFE SAVERS, INC. (US) | 1981-06-02 | — | — | US | disclosed |
| US-4262126-A | INHIBIT SECRETION OF GASTRIC JUICE | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-04-14 | — | — | US | disclosed |
| US-4242350-A | Antisecretory thiadiazole derivatives, processes for their manufacture and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-12-30 | — | — | US | disclosed |
| US-4234735-A | ANTIHISTAMINES, ANTISECRETORY AGENTS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-11-18 | — | — | US | disclosed |
| US-4165378-A | ANTISECRETORY, ANTIHISTAMINE | ICI AMERICAS INC. (US) | 1979-08-21 | — | — | US | disclosed |
| US-4165377-A | ANTIHISTAMINES, ANTISECRETORY | ICI AMERICAS INC. (US) | 1979-08-21 | — | — | US | disclosed |