Water

Water

SCHEMBL303864

O.O=C(O)CN(CC(=O)O)[C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O

nearest known ligand 0.40

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 20)

geneUniProtsupporting neighboursconfidence
ACE known ✓ P12821 1/20 0.40
CHRM2 known ✓ P08172 1/20 0.39
ADRA2A known ✓ P08913 1/20 0.39
SLC6A2 known ✓ P23975 1/20 0.39
SLC6A4 known ✓ P31645 1/20 0.39
ADRA1A known ✓ P35348 1/20 0.39
DRD3 known ✓ P35462 1/20 0.39
SLC6A3 known ✓ Q01959 1/20 0.39
TDP1 Q9NUW8 2/20 0.40
EYA2 O00167 1/20 0.40
APP P05067 1/20 0.40
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH3 Q9Y5N1 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 SCHEMBL1825839 1.00 TDP1 (0.40) TDP1EYA2APPACEBLM
SCHEMBL1477656 0.98 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL93743 0.98 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL21848627 0.98 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL367170 0.98 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL641988 0.98 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL7705689 0.95 TDP1 (0.40) TDP1EYA2APPACEBLM
SCHEMBL643078 0.93 TDP1 (0.36) TDP1EYA2APPACEBLM
SCHEMBL19962832 0.91 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL19962167 0.91 TDP1 (0.42) TDP1EYA2APPACEBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12601975-B2 Compositions for reducing resist consumption of extreme ultraviolet metallic type resist TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) 2026-04-14 US claimed
US-12487527-B2 Photoresist developer and method of developing photoresist TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2025-12-02 US claimed
US-20250362598-A1 PHOTORESIST DEVELOPER AND METHOD OF DEVELOPING PHOTORESIST TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2025-11-27 US claimed
US-20250136488-A1 Extended- and Multimodal-Release Compositions Finoric LLC 2025-05-01 US claimed
US-20240264526-A1 PHOTORESIST DEVELOPER AND METHOD OF DEVELOPING PHOTORESIST TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2024-08-08 US claimed
US-11971657-B2 Photoresist developer and method of developing photoresist TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2024-04-30 US claimed
CN-116692927-A Preparation method of high-purity silver nitrate 昆明冶金研究院有限公司 2023-09-05 CN claimed
US-20230033363-A1 AQUEOUS SOLUTIONS CONTAINING AMINO CARBOXYLIC ACID CHELATORS ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2023-02-02 US claimed
CN-115532793-A Process method for reducing soluble manganese and ammonia nitrogen in electrolytic manganese slag 梁毅 2022-12-30 CN claimed
US-20220404705-A1 COMPOSITIONS FOR REDUCING RESIST CONSUMPTION OF EXTREME ULTRAVIOLET METALLIC TYPE RESIST TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2022-12-22 US claimed
EP-1786879-A2 METHOD OF REMOVING AN INVERT EMULSION FILTER CAKE AFTER THE DRILLING PROCESS USING A SINGLE PHASE MICROEMULSION Baker Hughes Incorporated (US) 2007-05-23 EP claimed
EP-1760737-A1 ELECTROLYTE FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2007-03-07 EP claimed
US-20070027253-A1 Method of removing an invert emulsion filter cake after the drilling process using a single phase microemulsion BAKER HUGHES INCORPORATED 2007-02-01 US claimed
US-7134496-B2 Method of removing an invert emulsion filter cake after the drilling process using a single phase microemulsion BAKER HUGHES INCORPORATED (US) 2006-11-14 US claimed
US-20060073986-A1 Method of removing an invert emulsion filter cake after the drilling process using a single phase microemulsion BAKER HUGHES INCORPORATED (US) 2006-04-06 US claimed
WO-2006029019-A2 METHOD OF REMOVING AN INVERT EMULSION FILTER CAKE AFTER THE DRILLING PROCESS USING A SINGLE PHASE MICROEMULSION BAKER HUGHES INCORPORATED (US) 2006-03-16 WO claimed
EP-1006536-B1 Electrolytic solution for electrolytic capacitor and electrolytic capacitor using the same RUBYCON CORP (JP) 2006-03-15 EP claimed
US-20050143286-A1 such as lactoferrin, conalbumin; combinations with antibiotics, microbiocides for e.g. disinfecting, preserving food, treating infections; also chelating agents such as ,19,30-trioxa-1,4,10,13,16,22,27,33-octaazabicyclo(11,11,11)pentatriacontane hexahydrobromide THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2005-06-30 US claimed
US-6288889-B1 SOLVENT OF AN ORGANIC SOLVENT AND WATER, AN ELECTROLYTE OF CARBOXYLIC ACIDS, INORGANIC ACIDS, AND/OR THEIR SALTS, AND A CHELATE COMPOUND; LOW TEMPERATURE STABILITY AND IMPEDANCE RUBYCON CORPORATION (JP) 2001-09-11 US claimed
EP-1006536-A2 Electrolytic solution for electrolytic capacitor and electrolytic capacitor using the same Rubycon Corporation (JP) 2000-06-07 EP 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 (1 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-12601975-B2 Compositions for reducing resist consumption of extreme ultraviolet metallic type resist ADH1C, GRIN2C, MCCC2 ACE 4215/4885CHRM2 263/4885ADRA2A 851/4885

“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.