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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
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 SCHEMBL11479512 | 1.00 | CA2 (0.42) | CA2MEN1KMT2ACYP3A4TSHR | |
| Water SCHEMBL11117585 | 1.00 | CA2 (0.42) | CA2MEN1KMT2ACYP3A4TSHR | |
| Water SCHEMBL6912453 | 1.00 | CA2 (0.42) | CA2MEN1KMT2ACYP3A4TSHR | |
| Water SCHEMBL27757491 | 0.96 | CA2 (0.41) | CA2MEN1KMT2ACYP3A4TSHR | |
| SCHEMBL23647292 | 0.96 | CA2 (0.44) | CA2MEN1KMT2ACYP3A4TSHR | |
| SCHEMBL398 | 0.96 | — | — | |
| SCHEMBL5668460 | 0.96 | CA2 (0.44) | CA2MEN1KMT2ACYP3A4TSHR | |
| SCHEMBL125032 | 0.96 | CA2 (0.44) | CA2MEN1KMT2ACYP3A4TSHR | |
| SCHEMBL10835191 | 0.96 | CA2 (0.44) | CA2MEN1KMT2ACYP3A4TSHR | |
| SCHEMBL14920 | 0.96 | CA2 (0.44) | CA2MEN1KMT2ACYP3A4TSHR |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1069078-B1 | Method of elution of fluorinated emulgators | DYNEON GMBH (DE) | 2004-10-20 | — | — | EP | claimed |
| US-6436244-B1 | STEAM DISTILLING TO REMOVE VOLATILE IMPURITIES; DEBONDING PURE PERFLUORO ALKYL CARBOXYLATE OR SULFONATE FROM ANION EXCHANGE RESIN AS FREE ACID, ALKALI METAL SALT OR AMMONIUM SALT IN WATER AND ORGANIC SOLVENT | DYNEON GMBH (DE) | 2002-08-20 | — | — | US | claimed |
| EP-4359393-A1 | PROCESS FOR MAKING EPOXIDE DERIVATIVES OF FARNESENE AND USE THEREOF IN FURTHER SYNTHESIS | Givaudan SA (CH) | 2024-05-01 | — | — | EP | disclosed |
| CN-117597334-A | Process for preparing epoxide derivatives of farnesene and their use in further synthesis | 奇华顿股份有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-115505382-B | Green low-toxicity composition with sulfur dissolving function and preparation method and application thereof | 中国石油化工股份有限公司 | 2024-02-06 | — | — | CN | disclosed |
| EP-3141239-B1 | FRAGRANCE COMPOSITIONS AND USES THEREOF | PROCTER & GAMBLE (US) | 2023-05-10 | — | — | EP | disclosed |
| WO-2022268840-A1 | PROCESS FOR MAKING EPOXIDE DERIVATIVES OF FARNESENE AND USE THEREOF IN FURTHER SYNTHESIS | GIVAUDAN SA (CH) | 2022-12-29 | — | — | WO | disclosed |
| CN-115515726-A | Coating system with increased jetness and improved color | 巴斯夫涂料有限公司 | 2022-12-23 | — | — | CN | disclosed |
| CN-115367771-A | High-stability micron-sized cubic Prussian blue and analogue thereof, and preparation method and application thereof | 华南理工大学 | 2022-11-22 | — | — | CN | disclosed |
| CN-108885397-B | Surface treatment method and surface treatment liquid | 东京应化工业株式会社 | 2022-03-01 | — | — | CN | disclosed |
| US-20210393506-A1 | FRAGRANCE BLENDS AND METHODS FOR PREPARATION THEREOF | JPMORGAN CHASE BANK, N.A. | 2021-12-23 | — | — | US | disclosed |
| EP-2066709-A1 | PARTICLES AND THEIR USE IN A METHOD FOR ISOLATING NUCLEIC ACID OR A METHOD FOR ISOLATING PHOSPHOPROTEINS | Invitrogen Dynal AS (NO) | 2009-06-10 | — | — | EP | disclosed |
| WO-2008079905-A1 | PARTICLES AND THEIR USE IN A METHOD FOR ISOLATING NUCLEIC ACID OR A METHOD FOR ISOLATING PHOSPHOPROTEINS | INVITROGEN DYNAL AS (NO) | 2008-07-03 | — | — | WO | disclosed |
| WO-2005035676-A1 | METHOD FOR PRODUCING COATING FORMULATIONS FOR WATER AND OIL REPELLANT COATINGS | CLARIANT GMBH (DE) | 2005-04-21 | — | — | WO | disclosed |
| US-6436244-B1 | STEAM DISTILLING TO REMOVE VOLATILE IMPURITIES; DEBONDING PURE PERFLUORO ALKYL CARBOXYLATE OR SULFONATE FROM ANION EXCHANGE RESIN AS FREE ACID, ALKALI METAL SALT OR AMMONIUM SALT IN WATER AND ORGANIC SOLVENT | DYNEON GMBH (DE) | 2002-08-20 | — | — | US | disclosed |
| US-5607719-A | Process for the preparation of heat-resistant coatings on wires or fibres and a suitable device for performing the same | HERBERTS GMBH (DE) | 1997-03-04 | — | — | US | disclosed |
| US-4623690-A | Cathodically precipitable aqueous electro-dipcoating agent | HERBERTS GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1986-11-18 | — | — | US | disclosed |
| US-4608420-A | SELF-CURING OR CURING AGENTS FOR HYDROXY COMPOUNDS | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-08-26 | — | — | US | disclosed |
| US-4297513-A | Process for the preparation of benzophenone thioethers | CIBA-GEIGY CORPORATION (US) | 1981-10-27 | — | — | US | disclosed |
| US-4261929-A | ONE STEP, FROM PHOSPHOROUS ACID, A NITRILE AND FORMALDEHYDE OR THEREACTION PRODUCT OF THE LATTER TWO | BENCKISER-KNAPSACK GMBH (DE) | 1981-04-14 | — | — | US | disclosed |