Water

Water

SCHEMBL7103036

NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O.O.O

nearest known ligand 0.59

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 13)

geneUniProtsupporting neighboursconfidence
ACE known ✓ P12821 4/20 0.59
ITGB3 known ✓ P05106 2/20 0.50
ITGA2B known ✓ P08514 2/20 0.50
FOLH1 Q04609 1/20 0.57
NAALAD2 Q9Y3Q0 1/20 0.57
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
MME P08473 4/20 0.53
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
SLC7A5 Q01650 1/20 0.51
CTSC P53634 2/20 0.49
EPHX2 P34913 1/20 0.48

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 SCHEMBL27998556 1.00 ACE (0.59) ACEFOLH1NAALAD2CA1CA2
Water SCHEMBL9517059 1.00 ACE (0.59) ACEFOLH1NAALAD2CA1CA2
Water SCHEMBL22150379 1.00 ACE (0.59) ACEFOLH1NAALAD2CA1CA2
SCHEMBL3459805 0.98 ACE (0.60) ACEFOLH1NAALAD2CA1CA2
SCHEMBL479125 0.98 ACE (0.60) ACEFOLH1NAALAD2CA1CA2
SCHEMBL7110125 0.98 ACE (0.60) ACEFOLH1NAALAD2CA1CA2
SCHEMBL479126 0.98 ACE (0.60) ACEFOLH1NAALAD2CA1CA2
SCHEMBL7110134 0.98 ACE (0.60) ACEFOLH1NAALAD2CA1CA2
SCHEMBL28294791 0.97 ACE (0.59) ACEFOLH1NAALAD2CA1CA2
SCHEMBL28294788 0.97 ACE (0.59) ACEFOLH1NAALAD2CA1CA2

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
EP-4455263-A1 COMPOSITION FOR CULTURING ANIMAL CELLS AJINOMOTO CO., INC. (JP) 2024-10-30 EP claimed
US-20240344021-A1 Composition for Culturing Animal Cells AJINOMOTO CO., INC. (JP) 2024-10-17 US claimed
CN-118240740-B Single-component CHO perfusion culture medium and application thereof 上海迈邦生物科技有限公司 2024-09-03 CN claimed
CN-118475682-A Composition for animal cell culture 味之素株式会社 2024-08-09 CN claimed
CN-118240740-A High-performance single-component CHO perfusion culture medium and application thereof 上海迈邦生物科技有限公司 2024-06-25 CN claimed
CN-117165511-A Neutral feed supplement culture medium for cell culture and preparation method and application thereof 上海迈邦生物科技有限公司 2023-12-05 CN claimed
WO-2023120637-A1 COMPOSITION FOR CULTURING ANIMAL CELLS 味の素株式会社 2023-06-29 WO claimed
EP-0950664-B1 Process for producing N-glycyltyrosine KYOWA HAKKO KOGYO KK (JP) 2003-07-02 EP claimed
US-6197998-B1 Process for producing N-glycyltyrosine and its crystal structure KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-03-06 US claimed
EP-0950664-A1 Process for producing n-glycyltyrosine KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-10-20 EP claimed
US-20250064706-A1 PHOTOSTABILIZED COMPOSITIONS AND A METHOD FOR STABILIZING PHOTOSENSITIVE COMPONENTS EVONIK OPERATIONS GMBH (DE) 2025-02-27 US disclosed
EP-4455263-A1 COMPOSITION FOR CULTURING ANIMAL CELLS AJINOMOTO CO., INC. (JP) 2024-10-30 EP disclosed
US-20240344021-A1 Composition for Culturing Animal Cells AJINOMOTO CO., INC. (JP) 2024-10-17 US disclosed
CN-118240740-B Single-component CHO perfusion culture medium and application thereof 上海迈邦生物科技有限公司 2024-09-03 CN disclosed
CN-118475682-A Composition for animal cell culture 味之素株式会社 2024-08-09 CN disclosed
WO-2014177406-A1 COMPOSITION COMPRISING AT LEAST THREE ACTIVE AGENTS FOR COLOURING AND/OR PIGMENTING KERATIN MATERIALS L'OREAL (FR) 2014-11-06 WO disclosed
EP-0950664-B1 Process for producing N-glycyltyrosine KYOWA HAKKO KOGYO KK (JP) 2003-07-02 EP disclosed
US-6197998-B1 Process for producing N-glycyltyrosine and its crystal structure KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-03-06 US disclosed
EP-0950664-A1 Process for producing n-glycyltyrosine KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-10-20 EP disclosed
EP-0950664-A1 Process for producing n-glycyltyrosine KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-10-20 EP disclosed