Water

Water

SCHEMBL148528

O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ga+3]

nearest known ligand 0.67

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 9)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
TSHR P16473 3/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36

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 SCHEMBL15333412 1.00 MEN1 (0.67) MEN1KMT2ATSHRCA5ACA5B
Water SCHEMBL199336 1.00 MEN1 (0.67) MEN1KMT2ATSHRCA5ACA5B
Water SCHEMBL2807134 1.00 MEN1 (0.67) MEN1KMT2ATSHRCA5ACA5B
Water SCHEMBL28580914 1.00 MEN1 (0.67) MEN1KMT2ATSHRCA5ACA5B
Water SCHEMBL19665772 1.00 MEN1 (0.67) MEN1KMT2ATSHRCA5ACA5B
Water SCHEMBL900388 1.00 MEN1 (0.67) MEN1KMT2ATSHRCA5ACA5B
Water SCHEMBL29216461 1.00 MEN1 (0.67) MEN1KMT2ATSHRCA5ACA5B
SCHEMBL8897 0.94 MEN1 (0.75) MEN1KMT2ATSHRCA5ACA5B
Water SCHEMBL2590832 0.94 MEN1 (0.75) MEN1KMT2ATSHRCA5ACA5B
Water SCHEMBL10566608 0.94 MEN1 (0.75) MEN1KMT2ATSHRCA5ACA5B

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 1276 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079186-A Gallium silicon molecular sieve and preparation method and application thereof 2026-05-26 CN claimed
CN-118145964-B Iron-doped gallium oxide-based strong ferromagnetic ceramic film material and preparation method thereof 成都昆仑玉丘科技有限公司 2026-05-19 CN claimed
CN-122037227-A Gallium metal organic framework material and preparation method and application thereof 南方医科大学珠江医院 2026-05-15 CN claimed
US-12605487-B2 Metal substrate with antibacterial and osteointegrative properties for implantology applications MEDACTA INTERNATIONAL SA (CH) 2026-04-21 US claimed
CN-121570590-A Composite material for treating periodontitis based on photodynamic force and preparation method and application thereof 南昌大学第二附属医院 2026-02-27 CN claimed
US-12550378-B2 IGZO thin-film transistor and method for manufacturing same SOUTHEAST UNIVERSITY (CN) 2026-02-10 US claimed
EP-4630187-A1 PRODUCTION OF SILVER NANOPARTICLES BY GREEN SYNTHESIS USING HAZELNUT HUSK EXTRACT Bahçesehir Üniversitesi (TR) 2025-10-15 EP claimed
US-20250249440-A1 PROCESS AND CATALYST FOR CATALYTIC CRACKING OF NAPHTHA TO LIGHT OLEFINS AND AROMATICS HINDUSTAN PETROLEUM CORPORATION LIMITED (IN) 2025-08-07 US claimed
US-20250215314-A1 PRECURSOR MATERIAL FOR SYNTHESIS OF GROUP III-V QUANTUM DOTS AND PREPARATION METHOD THEREFOR Research & Business Foundation Sungkyunkwan University (KR) 2025-07-03 US claimed
CN-119419299-B Platinum-palladium-based multi-element alloy sub-nanobelt catalyst and preparation method and application thereof 北京科技大学 2025-06-24 CN claimed
JP-2011506455-A 2011-03-03 JP claimed
US-20100272717-A1 COMBINATIONS OF THERAPEUTIC AGENTS FOR TREATING CANCER NOVARTIS AG (CH) 2010-10-28 US claimed
US-20100251936-A1 METHOD OF FABRICATING LIQUID FOR OXIDE THIN FILM INDUSTRY-ACADEMIC COOPERATION FOUNDATION , (KR) 2010-10-07 US claimed
EP-2231147-A2 COMBINATIONS OF THERAPEUTIC AGENTS FOR TREATING CANCER Novartis AG (CH) 2010-09-29 EP claimed
WO-2010025720-A2 IMPLANT AND METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF VEREIN ZUR FÖRDERUNG VON INNOVATIONEN DURCH FORSCHUNG, ENTWICKLUNG UND TECHNOLOGIETRANSFER E. V. (VEREIN INNOVENT E.V.) (DE) 2010-03-11 WO claimed
WO-2009076170-A2 COMBINATIONS OF THERAPEUTIC AGENTS FOR TREATING CANCER NOVARTIS AG (CH) 2009-06-18 WO claimed
US-7547953-B2 Porous gallium oxide films and methods for making and patterning the same GENERAL ELECTRIC COMPANY (US) 2009-06-16 US claimed
WO-2009054574-A1 METHOD OF FABRICATING LIQUID FOR OXIDE THIN FILM INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2009-04-30 WO claimed
US-20080180209-A1 Porous gallium oxide films and methods for making and patterning the same GENERAL ELECTRIC COMPANY 2008-07-31 US claimed
US-4225511-A Direct oximation of ketones using gallia catalysts ALLIED CHEMICAL CORPORATION (US) 1980-09-30 US claimed

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

For each of this compound's patents that has machine-readable text (3 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-12550378-B2 IGZO thin-film transistor and method for manufacturing same PTPRO, PTPRZ1, IKZF3 MEN1 4562/4885KMT2A 2869/4885TSHR 885/4885
US-20100272717-A1 COMBINATIONS OF THERAPEUTIC AGENTS FOR TREATING CANCER ANXA5, BAX, ANXA6 MEN1 2299/4885KMT2A 2057/4885TSHR 4483/4885
US-12605487-B2 Metal substrate with antibacterial and osteointegrative properties for implantology applications BMP2, SOST, ACP3 MEN1 4165/4885KMT2A 3731/4885TSHR 3031/4885

“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.