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.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 SCHEMBL5486808 | 1.00 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| Water SCHEMBL6764373 | 1.00 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| Water SCHEMBL27861359 | 1.00 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| Water SCHEMBL4025774 | 1.00 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| Water SCHEMBL581158 | 1.00 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| Water SCHEMBL27570711 | 1.00 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| Water SCHEMBL18544564 | 1.00 | CA2 (0.39) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| Fluoride SCHEMBL28787348 | 0.96 | CA2 (0.37) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL27892503 | 0.95 | CA2 (0.41) | CA2CES2ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL344 | 0.95 | CA2 (0.41) | CA2CES2ALDH1A1POLBSMN1; SMN2 |
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 689 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113717030-B | Preparation method of hexafluoroisopropanol | 江苏福赛乙德药业有限公司 | 2024-07-02 | — | — | CN | claimed |
| CN-115636759-B | Preparation method of 2, 2-bis (3-amino-4-hydroxyphenyl) hexafluoropropane | 天津众泰材料科技有限公司 | 2024-06-11 | — | — | CN | claimed |
| CN-111018683-B | Preparation device of hexafluoroacetone hydrate | 天津市长芦化工新材料有限公司 | 2024-04-02 | — | — | CN | claimed |
| CN-110961040-B | Device for preparing hexafluoroisopropanol by catalytic hydrogenation and application method thereof | 天津市长芦化工新材料有限公司 | 2023-11-24 | — | — | CN | claimed |
| CN-111655676-B | Process for producing 1, 3-dioxolane compound and perfluoro (2, 2-dimethyl-1, 3-dioxole) | ＡＧＣ株式会社 | 2023-09-15 | — | — | CN | claimed |
| EP-3747878-B1 | PRODUCTION METHODS FOR 1,3-DIOXOLANE COMPOUND AND PERFLUORO(2,2-DIMETHYL-1,3-DIOXOLE) | AGC INC (JP) | 2023-05-10 | — | — | EP | claimed |
| CN-115998957-A | Silk fibroin self-reinforced composite material and preparation method and application thereof | 西安工程大学 | 2023-04-25 | — | — | CN | claimed |
| CN-111017953-B | Fluorinated silicoaluminophosphate molecular sieves and methods of making and using same | 天津市长芦化工新材料有限公司 | 2023-04-18 | — | — | CN | claimed |
| CN-110963985-B | Preparation method of 4,4' - (hexafluoroisopropylidene) diphthalic anhydride | 珠海派锐尔新材料有限公司 | 2023-04-18 | — | — | CN | claimed |
| CN-115636759-A | Preparation method of 2, 2-bis (3-amino-4-hydroxyphenyl) hexafluoropropane | 天津众泰材料科技有限公司 | 2023-01-24 | — | — | CN | claimed |
| EP-0811012-A1 | METHOD OF PRODUCING L-ASPARTYL-D-ALANINE-N-(THIETHANE-3-YL)-AMIDES | Degussa Aktiengesellschaft (DE) | 1997-12-10 | — | — | EP | claimed |
| WO-1996026213-A1 | METHOD OF PRODUCING L-ASPARTYL-D-ALANINE-N-(THIETHANE-3-YL)-AMIDES | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1996-08-29 | — | — | WO | claimed |
| EP-0135400-B1 | ESTRADIENE DERIVATIVES LABELLED WITH TRITIUM, THEIR PREPARATION AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR UTILIZATION IN THE STUDY AND IN THE DETERMINATION OF STEROIDS IN BIOLOGICAL FLUIDS | ROUSSEL-UCLAF (FR) | 1988-06-01 | — | — | EP | claimed |
| US-4734169-A | ELECTROLYTIC OXIDATION OF HEXAFLUORO 2-HYDROXYISOBUTANOIC ACID | NIPPON MEKTRON, LIMITED (JP) | 1988-03-29 | — | — | US | claimed |
| US-4642386-A | REACTING WITH WATER, DISTILLING | ATOCHEM (FR) | 1987-02-10 | — | — | US | claimed |
| US-4564716-A | Preparation of 1,1,1,3,3,3-hexafluoropropane-2-ol by hydrogenolysis of hexafluoroacetone hydrate | CENTRAL GLASS COMPANY, LIMITED (JP) | 1986-01-14 | — | — | US | claimed |
| US-4544772-A | Method of purifying hexafluoroacetone hydrate | CENTRAL GLASS COMPANY, LIMITED (JP) | 1985-10-01 | — | — | US | claimed |
| US-4473712-A | Purification of crude hexafluoroacetone containing nitrogen oxides and sulfur dioxide | ALLIED CORPORATION (US) | 1984-09-25 | — | — | US | claimed |
| US-4467124-A | Preparation of 1,1,1,3,3,3-hexafluoropropane-2-ol by vapor phase catalytic reaction of hexafluoroacetone hydrate with hydrogen | CENTRAL GLASS COMPANY LIMITED (JP) | 1984-08-21 | — | — | US | claimed |
| US-4393183-A | STORAGE STABILITY, BONDING STRENGTH | TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) | 1983-07-12 | — | — | US | claimed |