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 SCHEMBL29096701 | 1.00 | — | — | |
| Water SCHEMBL29014905 | 1.00 | — | — | |
| Water SCHEMBL28576548 | 1.00 | — | — | |
| Water SCHEMBL28409677 | 1.00 | — | — | |
| SCHEMBL669620 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL10788508 | 0.75 | — | — | |
| SCHEMBL2132852 | 0.75 | — | — | |
| SCHEMBL2396281 | 0.75 | — | — | |
| SCHEMBL21630982 | 0.75 | — | — | |
| SCHEMBL22635963 | 0.75 | — | — |
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 205 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120040304-A | Method for preparing isopropanolamine from acrylonitrile | 泰州学院 | 2025-05-27 | — | — | CN | claimed |
| CN-115415057-B | Chelating agent MHA applied to pyrite beneficiation and synthesis method thereof | 西北矿冶研究院 | 2025-05-23 | — | — | CN | claimed |
| CN-116262689-B | Preparation method of cyclohexanone | 中国科学院大连化学物理研究所 | 2025-02-21 | — | — | CN | claimed |
| CN-116262692-B | Preparation method of cyclopentanone | 中国科学院大连化学物理研究所 | 2024-11-15 | — | — | CN | claimed |
| CN-115415043-B | Semi-qualitative distribution method of estrus pyrite in pyrite beneficiation process | 西北矿冶研究院 | 2024-06-21 | — | — | CN | claimed |
| CN-115415042-B | Quantitative balance distribution method of estrus pyrite in pyrite beneficiation process | 西北矿冶研究院 | 2024-05-17 | — | — | CN | claimed |
| CN-115814839-B | Boron or phosphorus doped Silicalite-1 molecular sieve encapsulated metal catalyst and preparation method and application thereof | 中触媒新材料股份有限公司 | 2024-03-22 | — | — | CN | claimed |
| CN-116262692-A | Preparation method of cyclopentanone | 中国科学院大连化学物理研究所 | 2023-06-16 | — | — | CN | claimed |
| CN-116262689-A | Preparation method of cyclohexanone | 中国科学院大连化学物理研究所 | 2023-06-16 | — | — | CN | claimed |
| CN-115814839-A | Boron or phosphorus doped Silicalite-1 molecular sieve encapsulated metal catalyst and preparation method and application thereof | 中触媒新材料股份有限公司 | 2023-03-21 | — | — | CN | claimed |
| EP-0075337-B1 | PROCESS FOR THE CO-PRODUCTION OF CARBOXYLIC ACIDS AND CARBOXYLIC ACID ESTERS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1985-10-23 | — | — | EP | claimed |
| EP-0083121-B1 | PROCESS FOR THE CO-PRODUCTION OF CARBOXYLIC ACIDS AND CARBOXYLIC ACID ESTERS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1985-07-24 | — | — | EP | claimed |
| EP-0072055-B1 | PROCESS FOR THE CO-PRODUCTION OF CARBOXYLIC ACIDS AND CARBOXYLIC ACID ESTERS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1985-05-02 | — | — | EP | claimed |
| EP-0031606-B1 | PROCESS FOR THE CO-PRODUCTION OF CARBOXYLIC ACIDS AND CARBOXYLIC ACID ESTERS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-08-24 | — | — | EP | claimed |
| EP-0085204-A1 | Process for the co-production of carboxylic acids and carboxylic acid esters | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-08-10 | — | — | EP | claimed |
| EP-0083121-A1 | Process for the co-production of carboxylic acids and carboxylic acid esters | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-07-06 | — | — | EP | claimed |
| EP-0075335-A1 | Process for the co-production of carboxylic acids and carboxylic acid esters | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-03-30 | — | — | EP | claimed |
| EP-0075337-A1 | Process for the co-production of carboxylic acids and carboxylic acid esters | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-03-30 | — | — | EP | claimed |
| EP-0072055-A1 | Process for the co-production of carboxylic acids and carboxylic acid esters | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-02-16 | — | — | EP | claimed |
| EP-0031606-A1 | Process for the co-production of carboxylic acids and carboxylic acid esters | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1981-07-08 | — | — | EP | claimed |