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 SCHEMBL29450508 | 1.00 | — | — | |
| Water SCHEMBL8819989 | 1.00 | — | — | |
| Water SCHEMBL29450509 | 1.00 | — | — | |
| Water SCHEMBL24591 | 1.00 | — | — | |
| Water SCHEMBL9088259 | 1.00 | — | — | |
| Water SCHEMBL20838529 | 1.00 | — | — | |
| Water SCHEMBL185265 | 1.00 | — | — | |
| Water SCHEMBL2418009 | 1.00 | — | — | |
| Water SCHEMBL733305 | 1.00 | — | — | |
| Water SCHEMBL6510201 | 1.00 | — | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116273146-A | Catalyst for catalyzing hydrolysis reaction of carbon disulfide and/or carbon oxysulfide in coal gas at normal temperature and application method thereof | 湘潭大学 | 2023-06-23 | — | — | CN | claimed |
| CN-215896039-U | Flame-retardant high-temperature-resistant fireproof cable | 无锡市登峰电缆有限公司 | 2022-02-22 | — | — | CN | claimed |
| CN-102020679-A | Method for preparing lobaplatin trihydrate by usingoxalate | GUIZHOU YIBAI PHARMACEUTICAL | 2011-04-20 | — | — | CN | claimed |
| CN-116273146-A | Catalyst for catalyzing hydrolysis reaction of carbon disulfide and/or carbon oxysulfide in coal gas at normal temperature and application method thereof | 湘潭大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-108440515-B | Substituted benzofuranyl and benzoxazolyl compounds and uses thereof | 卡尔约药物治疗公司 | 2022-05-03 | — | — | CN | disclosed |
| CN-215896039-U | Flame-retardant high-temperature-resistant fireproof cable | 无锡市登峰电缆有限公司 | 2022-02-22 | — | — | CN | disclosed |
| CN-111307797-A | Combined determination method for tungsten and silicon content in ferrotungsten | 西宁特殊钢股份有限公司 | 2020-06-19 | — | — | CN | disclosed |
| CN-105198932-B | Lobaplatin dihydrate, preparation method and medicinal application | 贵州益佰制药股份有限公司 | 2018-09-21 | — | — | CN | disclosed |
| CN-105440082-B | A kind of lobaplatin crystal, preparation method and medicinal application | 贵州益佰制药股份有限公司 | 2018-08-14 | — | — | CN | disclosed |
| CN-105218587-B | A kind of lobaplatin crystal, preparation method and medicinal application | 贵州益佰制药股份有限公司 | 2018-08-14 | — | — | CN | disclosed |
| CN-105440083-B | A kind of lobaplatin crystal, preparation method and medicinal application | 贵州益佰制药股份有限公司 | 2018-08-14 | — | — | CN | disclosed |
| CN-102093226-A | Preparation method of diaminomethyl cyclobutane oxalate | GUIZHOU YIBAI PHARMACEUTICAL | 2011-06-15 | — | — | CN | disclosed |
| CN-102020679-A | Method for preparing lobaplatin trihydrate by usingoxalate | GUIZHOU YIBAI PHARMACEUTICAL | 2011-04-20 | — | — | CN | disclosed |
| US-7867353-B2 | Thermally and electrically conductive interface | AMERICAN STANDARD CIRCUITS (US) | 2011-01-11 | — | — | US | disclosed |
| CN-101787052-A | Method for preparing hydroxy carboxylic acid platinum complexes | HANGZHOU MINSHENG PHARM GROUP | 2010-07-28 | — | — | CN | disclosed |
| US-7527873-B2 | To bond a high or low frequency circuit board with a heat sink; useful in printed circuit board (PCB) assemblies that operate at various frequencies; high frequency applications such as in wireless communication systems and/or Radio frequency systems; dimethylpolysiloxane, metal, catalyst, fire retardant | AMERICAN STANDARD CIRCUITS (US) | 2009-05-05 | — | — | US | disclosed |
| US-20080251199-A1 | Thermally and Electrically Conductive Interface | AMERICAN STANDARD CIRCUITS (US) | 2008-10-16 | — | — | US | disclosed |
| US-20070184289-A1 | Thermally and electrically conductive interface | AMERICAN STANDARD CIRCUITS (US) | 2007-08-09 | — | — | US | disclosed |
| US-4205392-A | Gas discharge display device | OWENS-ILLINOIS, INC. (US) | 1980-05-27 | — | — | US | disclosed |
| US-3996489-A | Gas discharge device including transition metal element on internal dielectric layer | OWENS-ILLINOIS, INC. (US) | 1976-12-07 | — | — | US | disclosed |