Water

Water

SCHEMBL147605

O.O=C(O)c1[nH]c(=O)[nH]c(=O)c1F

nearest known ligand 0.96

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 8)

geneUniProtsupporting neighboursconfidence
JAK2 known ✓ O60674 1/20 0.96
THRB known ✓ P10828 1/20 0.96
DHODH Q02127 13/20 0.36
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TYMP P19971 1/20 0.33
EIF4A3 P38919 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL44527 0.98 JAK2 (1.00) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL9715507 0.98 JAK2 (1.00) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL10627886 0.96 JAK2 (0.96) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL10629768 0.96 JAK2 (0.96) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL17930149 0.78 JAK2 (0.67) JAK2THRBDHODHLMNAALDH1A1
Lithium Ion SCHEMBL10629765 0.77 JAK2 (0.64) JAK2THRBLMNAALDH1A1TYMP
SCHEMBL10627877 0.77 JAK2 (0.64) JAK2THRBLMNAALDH1A1TYMP
SCHEMBL22783664 0.75 JAK2 (0.61) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL9715512 0.74 JAK2 (0.58) JAK2THRB
SCHEMBL21886927 0.74 THRB (0.60) JAK2THRBDHODHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4144844-B1 PROTECTED DNA TEMPLATES FOR GENE MODIFICATION AND INCREASED HOMOLOGOUS RECOMBINATION IN CELLS AND METHODS OF USE DUPONT US HOLDING LLC (US) 2025-09-10 EP disclosed
WO-2025000521-A1 GROWTH-COUPLED YEAST-BASED DIRECTED EVOLUTION SCREENING METHOD AND DEVICE AND USE 清华大学 2025-01-02 WO disclosed
US-12054721-B2 Compositions and methods for 3-hydroxypropionic acid production CARGILL, INCORPORATED (US) 2024-08-06 US disclosed
WO-2024049268-A1 MUTANT WICKERHAMMYCES CIFERRII STRAIN HAVING IMPROVED PRODUCTIVITY FOR TAPS, AND METHOD FOR PRODUCING TAPS USING SAME 고려대학교 산학협력단 2024-03-07 WO disclosed
WO-2023225358-A1 GENERATION AND TRACKING OF CELLS WITH PRECISE EDITS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-11-23 WO disclosed
CN-116790652-A Growth-coupled yeast directed evolution screening method, device and application 清华大学 2023-09-22 CN disclosed
EP-4144844-A1 PROTECTED DNA TEMPLATES FOR GENE MODIFICATION AND INCREASED HOMOLOGOUS RECOMBINATION IN CELLS AND METHODS OF USE DuPont US Holding, LLC (US) 2023-03-08 EP disclosed
EP-3362560-B1 PROTECTED DNA TEMPLATES FOR GENE MODIFICATION AND INCREASED HOMOLOGOUS RECOMBINATION IN CELLS AND METHODS OF USE DUPONT US HOLDING LLC (US) 2022-08-10 EP disclosed
CN-107828671-B Compositions and methods for producing 3-hydroxypropionic acid 卡吉尔公司 2022-03-08 CN disclosed
US-20220064654-A1 COMPOSITIONS AND METHODS FOR 3-HYDROXYPROPIONIC ACID PRODUCTION CARGILL, INCORPORATED (US) 2022-03-03 US disclosed
CN-1596301-A Gamma-glutamylcysteine-producing yeast and screening method thereof AJINOMOTO KK (JP) 2005-03-16 CN disclosed
CN-1592780-A Gamma-glutamylcysteine-producing yeast AJINOMOTO KK (JP) 2005-03-09 CN disclosed
US-20040214308-A1 Gamma-glutamylcystein-producing yeast and method of screening the same AJINOMOTO CO., INC. (JP) 2004-10-28 US disclosed
EP-1201747-B1 PROCESS FOR PRODUCING GAMMA-GLUTAMYLCYSTEINE AJINOMOTO KK (JP) 2004-10-27 EP disclosed
EP-1452585-A1 GAMMA-GLUTAMYLCYSTEINE-PRODUCING YEAST AND METHOD OF SCREENING THE SAME Ajinomoto Co., Inc. (JP) 2004-09-01 EP disclosed
EP-1449913-A1 GAMMA-GLUTAMYLCYSTEINE-PRODUCING YEAST Ajinomoto Co., Inc. (JP) 2004-08-25 EP disclosed
US-20030124684-A1 Method for producing gamma-glutamylcysteine NISHIUCHI HIROAKI (JP) 2003-07-03 US disclosed
CN-1386134-A Process for producing gamma-glutamylcysteine AJINOMOTO KK (JP) 2002-12-18 CN disclosed
EP-1201747-A1 PROCESS FOR PRODUCING GAMMA-GLUTAMYLCYSTEINE Ajinomoto Co., Inc. (JP) 2002-05-02 EP disclosed
US-4186266-A Process for producing 5-fluorouracil ASAHI GLASS COMPANY LIMITED (JP) 1980-01-29 US disclosed