Water

Water

SCHEMBL8599810

Cc1ccc(N)cc1.O

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL28022244 1.00 ACHE (0.93)
SCHEMBL8469646 0.96 ACHE (1.00)
SCHEMBL11887 0.96
SCHEMBL5838050 0.93
Hydrochloric Acid SCHEMBL515756 0.93
Ethane SCHEMBL7215590 0.93 ACHE (0.93)
Ammonia Solution, Strong SCHEMBL4839623 0.93
SCHEMBL1439188 0.93
Fluoride SCHEMBL7708424 0.93 ACHE (0.93)
SCHEMBL6463424 0.93

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3460044-B1 RECOMBINANT POLYNUCLEOTIDE SEQUENCE FOR PRODUCING ASTAXANTHIN AND USES THEREOF ACADEMIA SINICA (TW) 2024-01-24 EP disclosed
US-11781124-B2 Recombinant polynucleotide sequence for producing astaxanthin and uses thereof ACADEMIA SINICA (TW) 2023-10-10 US disclosed
US-20210071153-A1 RECOMBINANT POLYNUCLEOTIDE SEQUENCE FOR PRODUCING ASTAXANTHIN AND USES THEREOF ACADEMIA SINICA (TW) 2021-03-11 US disclosed
US-10865397-B2 Recombinant polynucleotide sequence for producing astaxanthin and uses thereof ACADEMIA SINICA (TW) 2020-12-15 US disclosed
CN-111500599-A Recombinant polynucleotide sequence for preparing astaxanthin and application thereof 中央研究院 2020-08-07 CN disclosed
US-20190144841-A1 RECOMBINANT POLYNUCLEOTIDE SEQUENCE FOR PRODUCING ASTAXANTHIN AND USES THEREOF ACADEMIA SINICA (TW) 2019-05-16 US disclosed
EP-3460044-A1 RECOMBINANT POLYNUCLEOTIDE SEQUENCE FOR PRODUCING ASTAXANTHIN AND USES THEREOF Academia Sinica (TW) 2019-03-27 EP disclosed
CN-106795477-A Recombinant polynucleotide sequence for preparing astaxanthin and application thereof 中央研究院 2017-05-31 CN disclosed
US-20170137792-A1 RECOMBINANT POLYNUCLEOTIDE SEQUENCE FOR PRODUCING ASTAXANTHIN AND USES THEREOF ACADEMIA SINICA (TW) 2017-05-18 US disclosed
EP-3143121-A2 RECOMBINANT POLYNUCLEOTIDE SEQUENCE FOR PRODUCING ASTAXANTHIN AND USES THEREOF Academia Sinica (TW) 2017-03-22 EP disclosed
WO-2015176054-A2 RECOMBINANT POLYNUCLEOTIDE SEQUENCE FOR PRODUCING ASTAXANTHIN AND USES THEREOF ACADEMIA SINICA (TW) 2015-11-19 WO disclosed
EP-0494535-B1 Process for producing epsilon-caprolactam and activating solid catalysts therefor SUMITOMO CHEMICAL CO (JP) 1998-02-18 EP disclosed
US-5403801-A Contacting zeolite with either aqueous solution of ammonium salts and base, or ammonia water SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-04 US disclosed
US-5212302-A Catalytic reaction of cyclohexanone oxime SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1993-05-18 US disclosed
EP-0494535-A1 Process for producing epsilon-caprolactam and activating solid catalysts therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-15 EP disclosed
EP-0119093-B1 POLYMERIZATION OF POLYDIORGANOSILOXANE IN THE PRESENCE OF FILLER DOW CORNING CORPORATION (US) 1990-10-31 EP disclosed
EP-0119093-A2 Polymerization of polydiorganosiloxane in the presence of filler DOW CORNING CORPORATION (US) 1984-09-19 EP disclosed
US-4433096-A Polymerization of polydiorganosiloxane in the presence of filler DOW CORNING CORPORATION (US) 1984-02-21 US disclosed
US-3975430-A FROM AN ALKALI METAL BISULFITE AND AN OLEFIN SNAM PROGETTI S.P.A. (IT) 1976-08-17 US disclosed