Water

Water

SCHEMBL1607892

CCCCCCCCN(C)C.O

nearest known ligand 0.94

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.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.50
SIGMAR1 known ✓ Q99720 2/20 0.39
DNM1 Q05193 7/20 0.94
TSHR P16473 2/20 0.69
ALDH1A1 P00352 1/20 0.69
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
GBA1 P04062 1/20 0.39

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.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL28198139 1.00 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL1607914 1.00 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL6438704 1.00 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL28934855 1.00 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL16990187 1.00 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL29431675 1.00 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL28698751 1.00 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL28789165 1.00 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL10958651 1.00 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12
Water SCHEMBL27914845 1.00 DNM1 (0.94) DNM1TSHRALDH1A1THRBCA12

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 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957670-A Highly-branched cross-linked polysiloxane and waterproof agent 佛山市顺德区德美瓦克有机硅有限公司 2022-08-30 CN claimed
US-5620787-A ALSO CONTAINING AN ALKOXY-GROUP CONTAINING ORGANOSILICON COMPOUND, A SURFACTANT AND WATER DOW CORNING TORAY SILICONE CO., LTD. (JP) 1997-04-15 US claimed
US-5521238-A WITH AN ALKOXY-GROUP CONTAINING ORGANOSILICON COMPOUND, SURFACTANT AND WATER; LACK OF OFFENSIVE ODOR; GOOD STORAGE STABILITY; IMPROVES FEEL OF TREATED FIBERS DOW CORNING TORAY SILICONE CO., LTD. (JP) 1996-05-28 US claimed
US-12583876-B2 Branched organosilicon compound, method of preparing same, and related compositions DOW SILICONES CORPORATION (US) 2026-03-24 US disclosed
US-12558299-B2 Hygiene product pod and methods of using same CMC Group, Inc. (US) 2026-02-24 US disclosed
US-12539259-B2 Hygiene product pod and methods of using same CMC Group, Inc. (US) 2026-02-03 US disclosed
US-12497549-B2 Composition for preparing a release coating DOW SILICONES CORPORATION (US) 2025-12-16 US disclosed
US-12398270-B2 Acrylate-functional branched organosilicon compound, method of preparing same, and copolymer formed therewith DOW SILICONES CORPORATION (US) 2025-08-26 US disclosed
US-12371535-B2 Branched organosilicon compound, method of preparing same, and copolymer formed therewith DOW SILICONES CORPORATION (US) 2025-07-29 US disclosed
US-12365818-B2 Composition for preparing a release coating DOW SILICONES CORPORATION (US) 2025-07-22 US disclosed
US-12338259-B2 Branched organosilicon compound, method of preparing same, and copolymer formed therewith DOW SILICONES CORPORATION (US) 2025-06-24 US disclosed
US-6153569-A IN MIXTURE WITH SURFACTANT DOW CORNING CORPORATION (US) 2000-11-28 US disclosed
US-6147038-A MIXTURE CONTAINING DIALKYLQUATERNARY AMINE SALT; HAIR CONDITIONER DOW CORNING CORPORATION (US) 2000-11-14 US disclosed
US-6136896-A Graft copolymers containing polydiorganosiloxane and polybutylene grafts DOW CORNING CORPORATION (US) 2000-10-24 US disclosed
EP-1013682-A1 Graft copolymers containing polydiorganosiloxane and polybutylene grafts DOW CORNING CORPORATION (US) 2000-06-28 EP disclosed
EP-0995771-A2 High purity oxyalkylene-modified organopolysiloxanes DOW CORNING CORPORATION (US) 2000-04-26 EP disclosed
US-5837425-A PRESENSITIZATION OF PLATES, SUPPORTS, MULTILAYER, EXPOSURE TO ACTINIC RADIATION OF FILMS, DEVELOPMENT OF PLATES WITH ALKALI FUJI PHOTO FILM CO., LTD. (JP) 1998-11-17 US disclosed
EP-0837104-A2 Ammonium siloxane emulsions and their use as fiber treatment agents DOW CORNING CORPORATION (US) 1998-04-22 EP disclosed
US-5707435-A SOFTENING AGENTS DOW CORNING CORPORATION (US) 1998-01-13 US disclosed
EP-0716347-A1 Developer for photosensitive lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1996-06-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12539259-B2 Hygiene product pod and methods of using same DAGLA, ABHD12, CUTA THRB 3183/4885SIGMAR1 717/4885DNM1 2369/4885
US-12583876-B2 Branched organosilicon compound, method of preparing same, and related compositions OXSR1, BRS3, NPSR1 THRB 696/4885SIGMAR1 134/4885DNM1 4099/4885
US-12558299-B2 Hygiene product pod and methods of using same PLOD2, PLOD1, DDOST THRB 4036/4885SIGMAR1 1962/4885DNM1 2659/4885
US-12338259-B2 Branched organosilicon compound, method of preparing same, and copolymer formed therewith OXSR1, BRS3, ORC3 THRB 1710/4885SIGMAR1 278/4885DNM1 4287/4885
US-12371535-B2 Branched organosilicon compound, method of preparing same, and copolymer formed therewith OXSR1, BRS3, OXER1 THRB 603/4885SIGMAR1 178/4885DNM1 4661/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.