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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.48 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.48 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.48 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA3 | P07451 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1586 | 0.97 | GAA (0.62) | GAACA1CA2CA12CA3 | |
| SCHEMBL31231738 | 0.97 | GAA (0.62) | GAACA1CA2CA12CA3 | |
| SCHEMBL31058081 | 0.95 | GAA (0.59) | GAACA1CA2CA12CA3 | |
| Methane SCHEMBL29250211 | 0.95 | GAA (0.59) | GAACA1CA2CA12CA3 | |
| Bromide SCHEMBL27747573 | 0.95 | GAA (0.59) | GAACA1CA2CA12CA3 | |
| Hydrochloric Acid SCHEMBL29967262 | 0.95 | GAA (0.59) | GAACA1CA2CA12CA3 | |
| Hydrochloric Acid SCHEMBL2833772 | 0.95 | GAA (0.59) | GAACA1CA2CA12CA3 | |
| SCHEMBL1584414 | 0.95 | GAA (0.59) | GAACA1CA2CA12CA3 | |
| SCHEMBL6621808 | 0.95 | GAA (0.59) | GAACA1CA2CA12CA3 | |
| SCHEMBL27998323 | 0.95 | GAA (0.59) | GAACA1CA2CA12CA3 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4707393-A1 | DOUBLE-STRANDED SIRNA, CONJUGATE THEREOF AND USE THEREOF | CMS Research & Development Pte. Ltd. (SG) | 2026-03-11 | — | — | EP | disclosed |
| WO-2024240230-A1 | DOUBLE-STRANDED SIRNA, CONJUGATE THEREOF AND USE THEREOF | 南京明德新药研发有限公司 | 2024-11-28 | — | — | WO | disclosed |
| EP-3527597-B1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2024-08-07 | — | — | EP | disclosed |
| US-11639413-B2 | Polymerizable composition for optical materials and application of same | MITSUI CHEMICALS, INC. (JP) | 2023-05-02 | — | — | US | disclosed |
| CN-109012748-B | Pyridine substituted pyrrole based rare earth metal catalyst and preparation method and application thereof | 安徽师范大学 | 2021-03-16 | — | — | CN | disclosed |
| US-20190284324-A1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIALS AND APPLICATION OF SAME | MITSUI CHEMICALS, INC. (JP) | 2019-09-19 | — | — | US | disclosed |
| EP-3527597-A1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2019-08-21 | — | — | EP | disclosed |
| WO-2019046364-A1 | INHIBITORS OF RSV REPLICATION AND APPLICATIONS THEREOF | EMORY UNIVERSITY (US) | 2019-03-07 | — | — | WO | disclosed |
| CN-109012748-A | Pyridine substituted azole base rare-earth metal catalyst and its preparation method and application | 安徽师范大学 | 2018-12-18 | — | — | CN | disclosed |
| WO-2017108204-A1 | NOVEL SUBSTITUTED SPIRO-[INDOLINE HETEROCYCLOALKANE] COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS | Grünenthal GmbH (DE) | 2017-06-29 | — | — | WO | disclosed |
| EP-1016661-B1 | 2,6-DICHLORO-4-PYRIDINEMETHANOL DERIVATIVES AS AGRICULTURAL CHEMICALS | DAINIPPON INK & CHEMICALS (JP) | 2005-08-03 | — | — | EP | disclosed |
| CN-1120155-C | 2,6-dichloro-4-pyridinemethanol derivatives and agricultural chemicals | DAINIPPON INK & CHEMICALS (JP) | 2003-09-03 | — | — | CN | disclosed |
| EP-0930292-B1 | PROCESS FOR PREPARING BETA-AMINO-ALPHA-HYDROXY ACID DERIVATIVES | KANEKA CORP (JP) | 2002-10-16 | — | — | EP | disclosed |
| US-6281231-B1 | 2,6-dichloro-4-pyridinemethanol derivatives and agricultural chemicals | DAINIPPON INK AND CHEMICAL, INC. (JP) | 2001-08-28 | — | — | US | disclosed |
| CN-1270581-A | 2,6-dichloro-4-pyridinemethanol derivatives and agricultural chemicals | DAINIPPON INK & CHEMICALS (US) | 2000-10-18 | — | — | CN | disclosed |
| US-6087530-A | Process for preparing β-amino-α-hydroxy acid derivatives | KANEKA CORPORATION (JP) | 2000-07-11 | — | — | US | disclosed |
| EP-1016661-A1 | 2,6-DICHLORO-4-PYRIDINEMETHANOL DERIVATIVES AND AGRICULTURAL CHEMICALS | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2000-07-05 | — | — | EP | disclosed |
| US-6020518-A | Process for preparing β-amino-α-hydroxy acid derivatives | KANEKA CORPORATION (JP) | 2000-02-01 | — | — | US | disclosed |
| EP-0930292-A1 | PROCESS FOR PREPARING $g(b)-AMINO-$g(a)-HYDROXY ACID DERIVATIVES | KANEKA CORPORATION (JP) | 1999-07-21 | — | — | EP | disclosed |
| US-4207234-A | 4-Unsubstituted azetidinone derivatives and process for preparation thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1980-06-10 | — | — | US | disclosed |