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 | |
|---|---|---|---|---|
| SCHEMBL11110429 | 1.00 | — | — | |
| Bicarbonate SCHEMBL18860473 | 0.89 | MCL1 (0.37) | — | |
| Acetic Acid SCHEMBL6315058 | 0.87 | MCL1 (0.36) | — | |
| SCHEMBL428246 | 0.78 | — | — | |
| SCHEMBL11495876 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL15368030 | 0.77 | — | — | |
| SCHEMBL3935902 | 0.77 | — | — | |
| SCHEMBL1980415 | 0.75 | — | — | |
| SCHEMBL5707704 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL28255669 | 0.74 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0158775-B1 | SUBSTITUTED SULFONAMIDOBENZAMIDES, ANTIARRYTHMIC AGENTS AND COMPOSITIONS THEREOF | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-04-20 | — | — | EP | disclosed |
| US-4692465-A | ANTI-OBESITY, ANTI-HYPERGLYCEMIC | BEECHAM GROUP PLC (GB) | 1987-09-08 | — | — | US | disclosed |
| EP-0139921-B1 | 2-PHENYLETHYLAMINE DERIVATIVES | BEECHAM GROUP PLC (GB) | 1987-03-25 | — | — | EP | disclosed |
| US-4629739-A | Substituted sulfonamidobenzamides and method of treating arrhythmias | SCHERING A.G. (DE) | 1986-12-16 | — | — | US | disclosed |
| US-4588734-A | ENZYME INHIBITORS | USV PHARMACEUTICAL CORP. (US) | 1986-05-13 | — | — | US | disclosed |
| US-4565825-A | Antihypertensive N-benzimidazolyl- and N-imidazolyl-amino acid derivatives | USV PHARMACEUTICAL CORP. (US) | 1986-01-21 | — | — | US | disclosed |
| US-4548928-A | ANGIOTENSIN INHIBITORS | USV PHARMACEUTICAL CO. (US) | 1985-10-22 | — | — | US | disclosed |
| US-4544654-A | Substituted sulfonamidobenzamides, antiarrhythmic agents and compositions thereof | SCHERING A.G. (DE) | 1985-10-01 | — | — | US | disclosed |
| US-4507312-A | Antihypertensive amides | USV PHARMACEUTICAL CORPORATION (US) | 1985-03-26 | — | — | US | disclosed |
| US-4304771-A | N-SULFUR-CONTAINING HETEROCYCLE SUBSTITUTED | USV PHARMACEUTICAL CORPORATION (US) | 1981-12-08 | — | — | US | disclosed |
| US-4256761-A | Antihypertensive amides | USV PHARMACEUTICAL CORPORATION (US) | 1981-03-17 | — | — | US | disclosed |