Water

Water

SCHEMBL20520296

O.O.[Ni].[Ti]

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 SCHEMBL10535197 1.00
Water SCHEMBL28465258 0.87
Water SCHEMBL22551320 0.87
Water SCHEMBL29208427 0.87
Water SCHEMBL3510082 0.87
Water SCHEMBL10424900 0.87
Water SCHEMBL21144534 0.87
Water SCHEMBL19124658 0.87
Water SCHEMBL2894968 0.87
Water SCHEMBL9723088 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108330524-B Nano nickel titanium dioxide nanotube array perforated membrane and preparation method thereof 武汉科技大学 2019-11-08 CN claimed
CN-108330524-A Nano nickel titanium dioxide nanotube array perforated membrane and preparation method thereof 武汉科技大学 2018-07-27 CN claimed
CN-107308941-A One kind mixes nickel titanium dioxide hollow microsphere photocatalyst preparation method 安徽星鑫化工科技有限公司 2017-11-03 CN claimed
CN-1106934-C Aluminium-plastics composite type moisture-proof layered material ARMAMENT RADAR REPAIR SHOP JI (CN) 2003-04-30 CN claimed
CN-1277916-A Aluminium-plastics composite type moisture-proof layered material ARMAMENT RADAR REPAIR SHOP JI (CN) 2000-12-27 CN claimed
EP-4218914-B1 SYSTEMS FOR NERVE CONDUCTION BLOCK PRESIDIO MEDICAL INC (US) 2026-05-06 EP disclosed
US-20260083965-A1 SYSTEMS AND METHODS FOR DIRECT CURRENT NERVE CONDUCTION BLOCK PRESIDIO MEDICAL INC (US) 2026-03-26 US disclosed
EP-4647113-A1 SYSTEMS AND METHODS FOR NERVE CONDUCTION BLOCK Presidio Medical, Inc. (US) 2025-11-12 EP disclosed
US-20250281736-A1 CURRENT BIAS AS A CONTROL MECHANISM FOR ELECTRODE OPERATION INVOPPS MT1, LP, AS COLLATERAL AGENT 2025-09-11 US disclosed
EP-3813925-B1 SYSTEMS AND METHODS FOR NERVE CONDUCTION BLOCK PRESIDIO MEDICAL INC (US) 2025-08-06 EP disclosed
US-12268865-B2 Current bias as a control mechanism for electrode operation Presidio Medical, Inc. (US) 2025-04-08 US disclosed
CN-119607410-A Methods and systems for nerve conduction block 普雷西迪奥医学有限公司 2025-03-14 CN disclosed
CN-108330524-A Nano nickel titanium dioxide nanotube array perforated membrane and preparation method thereof 武汉科技大学 2018-07-27 CN disclosed
CN-108330524-A Nano nickel titanium dioxide nanotube array perforated membrane and preparation method thereof 武汉科技大学 2018-07-27 CN disclosed
CN-107308941-A One kind mixes nickel titanium dioxide hollow microsphere photocatalyst preparation method 安徽星鑫化工科技有限公司 2017-11-03 CN disclosed
CN-107308941-A One kind mixes nickel titanium dioxide hollow microsphere photocatalyst preparation method 安徽星鑫化工科技有限公司 2017-11-03 CN disclosed
CN-104517739-B Titania based electrode material for super capacitor and preparation method thereof 中国科学院上海硅酸盐研究所 2017-06-06 CN disclosed
CN-104517739-A Titanium oxide-based super capacitor electrode material and preparation method thereof SHANGHAI INST CERAMICS 2015-04-15 CN disclosed
CN-1106934-C Aluminium-plastics composite type moisture-proof layered material ARMAMENT RADAR REPAIR SHOP JI (CN) 2003-04-30 CN disclosed
CN-1277916-A Aluminium-plastics composite type moisture-proof layered material ARMAMENT RADAR REPAIR SHOP JI (CN) 2000-12-27 CN disclosed