Water

Water

SCHEMBL9684780

Cc1c(N)ccc(Cc2ccccc2)c1C.O

nearest known ligand 0.44

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 11)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 1/20 0.41
ALOX5 known ✓ P09917 1/20 0.39
PIK3CA known ✓ P42336 1/20 0.38
CALM1 P0DP23 1/20 0.41
CTRC Q99895 3/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL4650255 0.98 HTR2A (0.42) HTR2ACALM1CTRCBCL2BCL2L1
Iodide SCHEMBL22188505 0.96 HTR2A (0.41) HTR2ACALM1CTRCBCL2BCL2L1
Hydrochloric Acid SCHEMBL1559085 0.96 HTR2A (0.41) HTR2ACALM1CTRCBCL2BCL2L1
Bromide SCHEMBL8174312 0.96 HTR2A (0.41) HTR2ACALM1CTRCBCL2BCL2L1
Bicarbonate SCHEMBL22188527 0.91 ALDH1A1 (0.44) CTRCBCL2BCL2L1CNR2GPR55
Acetic Acid SCHEMBL22188515 0.90 ALDH1A1 (0.43) CTRCCNR2GPR55
Oxalic Acid SCHEMBL22188492 0.90 ALDH1A1 (0.43) CTRCBCL2BCL2L1CNR2GPR55
Formic Acid SCHEMBL22188489 0.88 CNR2 (0.40) CTRCBCL2BCL2L1ALOX5CNR2
SCHEMBL8952634 0.88 CYP3A4 (0.39) CYP3A4TSHRPIK3CA
SCHEMBL22188508 0.87 ALDH1A1 (0.39) CTRCCYP3A4CNR2GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260118767-A1 REVERSE PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2026-04-30 US disclosed
US-12332567-B2 Composition for forming silicon-containing resist underlayer film, patterning process, and silicon compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-06-17 US disclosed
US-20240319598-A1 Composition For Forming Silicon-Containing Resist Underlayer Film And Patterning Process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-09-26 US disclosed
EP-4435515-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-09-25 EP disclosed
EP-3680275-B1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2024-03-06 EP disclosed
US-20230305405-A1 COMPOSITION FOR FORMING SILICON-CONTAINING METAL HARD MASK AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
EP-4250008-A1 COMPOSITION FOR FORMING SILICON-CONTAINING METAL HARD MASK AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-27 EP disclosed
EP-4020081-B1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM, PATTERNING PROCESS, AND SILICON COMPOUND SHINETSU CHEMICAL CO (JP) 2023-05-17 EP disclosed
US-11592287-B2 Method for measuring distance of diffusion of curing catalyst SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-02-28 US disclosed
US-11555697-B2 2023-01-17 US disclosed
US-20200341377-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-10-29 US disclosed
EP-3731017-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM AND PATTERNING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2020-10-28 EP disclosed
CN-111458980-A Composition for forming silicon-containing resist underlayer film and pattern forming method 信越化学工业株式会社 2020-07-28 CN disclosed
CN-111423587-A Thermosetting silicon-containing compound, composition for forming silicon-containing film, and method for forming pattern 信越化学工业株式会社 2020-07-17 CN disclosed
EP-3680275-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2020-07-15 EP disclosed
US-20200216670-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed
CN-111208710-A Iodine-containing thermosetting silicon-containing material, resist underlayer film-forming composition for extreme ultraviolet lithography containing the same, and pattern formation method 信越化学工业株式会社 2020-05-29 CN disclosed
US-5128164-A Sweeteners for foods and beverages SOUTH AFRICAN INVENTIONS DEVELOPMENT CORPORATION (ZA) 1992-07-07 US disclosed
US-4975298-A Sweetners for foods and beverages SOUTH AFRICAN INVENTIONS DEVELOPMENT CORPORATION (ZA) 1990-12-04 US disclosed
US-4209643-A Preparation of acetals ETHYL CORPORATION (US) 1980-06-24 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 (2 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-12332567-B2 Composition for forming silicon-containing resist underlayer film, patterning process, and silicon compound SMC1A, CDH1, SMC4 HTR2A 2779/4885ALOX5 2913/4885PIK3CA 971/4885
US-20260118767-A1 REVERSE PATTERNING PROCESS EFNA1, EPHA4, ETV6 HTR2A 3198/4885ALOX5 3448/4885PIK3CA 422/4885

“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.