Water

Water

SCHEMBL4405264

C=CCNCC[N+](C)(C)C.C=CCNCC[N+](C)(C)C.O

nearest known ligand 0.32

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 1)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31

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
Hydrochloric Acid SCHEMBL28596004 0.95 APEX1 (0.32)
Sulfuric Acid SCHEMBL4057330 0.88 BBOX1 (0.35)
SCHEMBL714615 0.84 MEN1 (0.38) LMNA
SCHEMBL5154412 0.82 MEN1 (0.42) LMNA
Hydrochloric Acid SCHEMBL28916544 0.82 APEX1 (0.40) LMNA
SCHEMBL12047846 0.80 MEN1 (0.46) LMNA
SCHEMBL370815 0.79 ADRB2 (0.31)
Hydrochloric Acid SCHEMBL2021971 0.79 APEX1 (0.48) LMNA
Hydrochloric Acid SCHEMBL28686190 0.79 MEN1 (0.44) LMNA
SCHEMBL3264796 0.74 MEN1 (0.31) LMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9655824-B2 Use of diphenylmethane derivatives as tyrosinase inhibitors SYMRISE AG (DE) 2017-05-23 US disclosed
EP-1959915-B1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING SYMRISE AG (DE) 2015-05-13 EP disclosed
US-8911795-B2 Compositions comprising dihydroavenanthramide D and climbazole as cosmetic and pharmaceutical compositions for alleviating itching SYMRISE AG (DE) 2014-12-16 US disclosed
US-8409552-B2 Anthranillic acid amides and derivatives thereof as cosmetic and pharmaceutical active compounds SYMRISE AG (DE) 2013-04-02 US disclosed
US-20120315233-A1 ANTHRANILLIC ACID AMIDES AND DERIVATIVES THEREOF AS COSMETIC AND PHARMACEUTICAL ACTIVE COMPOUNDS SYMRISE AG (DE) 2012-12-13 US disclosed
US-8203016-B2 Anthranilic acid amides and derivatives thereof as cosmetic and pharmaceutical agents SYMRISE AG (DE) 2012-06-19 US disclosed
EP-2023910-A1 AH RECEPTOR ANTAGONISTS Symrise GmbH & Co. KG (DE) 2009-02-18 EP disclosed
EP-1959915-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING Symrise GmbH & Co. KG (DE) 2008-08-27 EP disclosed
EP-1893161-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND COOLING AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING Symrise GmbH & Co. KG (DE) 2008-03-05 EP disclosed
WO-2007128723-A1 AH RECEPTOR ANTAGONISTS SYMRISE GMBH & CO. KG (DE) 2007-11-15 WO disclosed
WO-2007062957-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING SYMRISE GMBH & CO. KG (DE) 2007-06-07 WO disclosed
US-20070098655-A1 Use of diphenylmethane derivatives as tyrosinase inhibitors SYMRISE AG (DE) 2007-05-03 US disclosed
WO-2006134013-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND COOLING AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING SYMRISE GMBH & CO. KG (DE) 2006-12-21 WO disclosed
WO-2006134120-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND COOLING AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING SYMRISE GMBH & CO. KG (DE) 2006-12-21 WO disclosed
US-20060089413-A1 Anthranilic acid amides and derivatives thereof as cosmetic and pharmaceutical agents SYMRISE GMBH & CO. KG (DE) 2006-04-27 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 (3 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-20060089413-A1 Anthranilic acid amides and derivatives thereof as cosmetic and pharmaceutical agents HRH1, CMA1, HRH2 LMNA 3937/4885
US-20120315233-A1 ANTHRANILLIC ACID AMIDES AND DERIVATIVES THEREOF AS COSMETIC AND PHARMACEUTICAL ACTIVE COMPOUNDS CMA1, TPSAB1, HRH1 LMNA 3939/4885
US-20070098655-A1 Use of diphenylmethane derivatives as tyrosinase inhibitors TYR, DPM1, DDT LMNA 4292/4885

“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.