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 SCHEMBL1505724 | 1.00 | — | — | |
| Water SCHEMBL9279773 | 1.00 | — | — | |
| Water SCHEMBL3477607 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7109535 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL6130328 | 0.89 | — | — | |
| Water SCHEMBL27382625 | 0.89 | — | — | |
| SCHEMBL412138 | 0.87 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL27658389 | 0.76 | — | — | |
| Methane SCHEMBL1149323 | 0.75 | — | — | |
| SCHEMBL4651045 | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109503619-A | A kind of synthetic method of D-biotin | 浙江新和成股份有限公司 | 2019-03-22 | — | — | CN | claimed |
| CN-109503620-A | The preparation method of 5- (2- oxo thiophane and imidazoles -4 (2H)-alkenyl) penta acid compounds | 浙江新和成股份有限公司 | 2019-03-22 | — | — | CN | claimed |
| WO-2024120424-A1 | COMPOUND TARGETING PAN-KRAS PROTEIN DEGRADATION AGENT AND USE THEREOF | 贝达药业股份有限公司 | 2024-06-13 | — | — | WO | disclosed |
| WO-2023193795-A1 | COMPOUND TARGETING FOCAL ADHESION KINASE AND PREPARATION METHOD FOR AND APPLICATION OF COMPOUND | 北京师范大学 | 2023-10-12 | — | — | WO | disclosed |
| WO-2023138524-A1 | KRAS G12D DEGRADATION AGENT AND MEDICAL USE THEREOF | 贝达药业股份有限公司 | 2023-07-27 | — | — | WO | disclosed |
| WO-2020147848-A1 | TRICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 上海海雁医药科技有限公司 | 2020-07-23 | — | — | WO | disclosed |
| CN-109503619-A | A kind of synthetic method of D-biotin | 浙江新和成股份有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-109503620-A | The preparation method of 5- (2- oxo thiophane and imidazoles -4 (2H)-alkenyl) penta acid compounds | 浙江新和成股份有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-1300279-A | Modulators of protein tyrosine phosphatases | NOVO NORDISK AS (DK) | 2001-06-20 | — | — | CN | disclosed |
| CN-1300291-A | Modulators of protein tyrosine phosphatases (PTP enzymes) | NOVO NORDISK AS (DK) | 2001-06-20 | — | — | CN | disclosed |
| US-6090804-A | PSYCHOLOGICAL DISORDERS; SCHIZOPHRENIA THERAPY | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2000-07-18 | — | — | US | disclosed |
| US-6034280-A | Process for the production of 2,5-dimethyl-2,5-di-t-butylperoxy-hexane | PEROXID-CHEMIE GMBH (DE) | 2000-03-07 | — | — | US | disclosed |
| CN-1233176-A | Substituted tricyclics | LILLY CO ELI (US) | 1999-10-27 | — | — | CN | disclosed |