Water

Water

SCHEMBL199336

O.O.O.O.O.O.O.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 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 SCHEMBL148528 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 292 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260134883-A1 MAGNETIC TAPE, MAGNETIC TAPE CARTRIDGE, AND MAGNETIC TAPE APPARATUS FUJIFILM CORPORATION (JP) 2026-05-14 US disclosed
US-12559855-B2 Composite substrate, method for producing composite substrate, and method for producing gallium oxide crystal film NGK INSULATORS, LTD. (JP) 2026-02-24 US disclosed
US-12555603-B2 Magnetic tape, magnetic tape cartridge, and magnetic tape apparatus FUJIFILM CORPORATION (JP) 2026-02-17 US disclosed
US-12542157-B2 Magnetic tape apparatus suitable for changing head tilt angle during running after storage FUJIFILM CORPORATION (JP) 2026-02-03 US disclosed
US-12537023-B2 Magnetic tape, magnetic tape cartridge, and magnetic tape apparatus FUJIFILM CORPORATION (JP) 2026-01-27 US disclosed
US-20260018187-A1 MAGNETIC TAPE, MAGNETIC TAPE CARTRIDGE, AND MAGNETIC TAPE APPARATUS FUJIFILM CORPORATION (JP) 2026-01-15 US disclosed
US-20250349318-A1 MAGNETIC TAPE, MAGNETIC TAPE CARTRIDGE, AND MAGNETIC TAPE APPARATUS FUJIFILM CORPORATION (JP) 2025-11-13 US disclosed
EP-4628556-A2 POLISHING METHOD AND POLISHING COMPOSITION Fujimi Incorporated (JP) 2025-10-08 EP disclosed
US-12431163-B2 Magnetic tape, magnetic tape cartridge, and magnetic tape apparatus FUJIFILM CORPORATION (JP) 2025-09-30 US disclosed
US-12424243-B2 Magnetic tape cartridge and magnetic recording and reproducing device FUJIFILM CORPORATION (JP) 2025-09-23 US disclosed
US-20060130652-A1 Adsorbent for adsorption heat pump, adsorbent for humidity-control air conditioner, adsorption heat pump and humidity-control air conditioner MITSUBISHI CHEMICAL CORPORATION (JP) 2006-06-22 US disclosed
EP-1610084-A1 ADSORBENT FOR ADSORPTION HEAT PUMP, ADSORBENT FOR MOISTURE REGULATING CONDITIONER, ADSORPTION HEAT PUMP AND MOISTURE REGULATING CONDITIONER Mitsubishi Chemical Corporation (JP) 2005-12-28 EP disclosed
EP-0747339-B2 Process for production of (poly)alkylene glycol monoalkyl ether NIPPON CATALYTIC CHEM IND (JP) 2002-07-17 EP disclosed
EP-0747339-A1 Process for production of (poly)alkylene glycol monoalkyl ether NIPPON SHOKUBAI CO., LTD. (JP) 1996-12-11 EP disclosed
US-5380692-A Pollution control SAKAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US disclosed
EP-0532024-A1 Catalyst for catalytic reduction of nitrogen oxide SAKAI CHEMICAL INDUSTRY CO., LTD., (JP) 1993-03-17 EP disclosed
EP-0019476-B1 CATALYST AND PROCESS FOR PRODUCING ORTHO-METHYL SUBSTITUTED PHENOLS USING IT MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-01-18 EP disclosed
US-4329517-A COMPRISING IRON OXIDE COMPONENT MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1982-05-11 US disclosed
EP-0019476-A2 Catalyst and process for producing ortho-methyl substituted phenols using it MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1980-11-26 EP disclosed
US-4003920-A OXIDATION OF UNSATURATED HYDROCARBONS KURARAY CO., LTD. (JA) 1977-01-18 US 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 (6 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-20260018187-A1 MAGNETIC TAPE, MAGNETIC TAPE CARTRIDGE, AND MAGNETIC TAPE APPARATUS LEO1, IPO9, CD69 MEN1 323/4885KMT2A 2019/4885TSHR 607/4885
US-12542157-B2 Magnetic tape apparatus suitable for changing head tilt angle during running after storage TSPO, ATP5PB, VEGFA MEN1 140/4885KMT2A 2059/4885TSHR 768/4885
US-12555603-B2 Magnetic tape, magnetic tape cartridge, and magnetic tape apparatus MT-ATP8, ATP6V1E1, VDAC2 MEN1 2443/4885KMT2A 1076/4885TSHR 2599/4885
US-12559855-B2 Composite substrate, method for producing composite substrate, and method for producing gallium oxide crystal film COG2, COPG2, CORO1C MEN1 1798/4885KMT2A 2561/4885TSHR 1649/4885
US-12537023-B2 Magnetic tape, magnetic tape cartridge, and magnetic tape apparatus ZW10, TFRC, SMC4 MEN1 508/4885KMT2A 398/4885TSHR 1374/4885
US-20260134883-A1 MAGNETIC TAPE, MAGNETIC TAPE CARTRIDGE, AND MAGNETIC TAPE APPARATUS TMCO1, F8, ZW10 MEN1 332/4885KMT2A 605/4885TSHR 376/4885

“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.