Water

Water

SCHEMBL278724

C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CCC2C3CCC4CCCC[C@]4(C)C3CC[C@@]21C.O

nearest known ligand 0.66

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
MEN1 known ✓ O00255 1/20 0.57
VDR known ✓ P11473 2/20 0.56
EPHA2 P29317 3/20 0.66
GPBAR1 Q8TDU6 9/20 0.63
AKR1B10 O60218 1/20 0.57
AKR1B1 P15121 1/20 0.57
EFNA1 P20827 1/20 0.57
PSEN1 P49768 1/20 0.57
PSEN2 P49810 1/20 0.57
APH1B Q8WW43 1/20 0.57
NCSTN Q92542 1/20 0.57
APH1A Q96BI3 1/20 0.57
PSENEN Q9NZ42 1/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NR1H4 Q96RI1 2/20 0.57
ABCC4 O15439 3/20 0.56
CA1 P00915 2/20 0.50

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 SCHEMBL8333417 1.00 EPHA2 (0.66) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL58082 0.99 EPHA2 (0.67) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL18045259 0.99 EPHA2 (0.67) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL4777980 0.99 EPHA2 (0.67) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL55596 0.92 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL3789015 0.92 EPHA2 (0.65) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
Sulfuric Acid SCHEMBL2285700 0.92 EPHA2 (0.67) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL905493 0.90 EPHA2 (0.65) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL6027325 0.89 EPHA2 (0.66) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
Sulfuric Acid SCHEMBL5587293 0.89 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12569595-B2 Bioprosthetic tissue preparation EDWARDS LIFESCIENCES CORPORATION (US) 2026-03-10 US claimed
US-12492973-B2 Methods for large tissue labeling, clearing and imaging DEEP PICTION GMBH (DE) 2025-12-09 US claimed
EP-4019646-B1 METHODS AND KITS FOR DETECTING SPERM DNA FRAGMENTATION BONRAYBIO CO LTD (TW) 2025-06-11 EP claimed
EP-3810790-B1 METHOD FOR DETECTING AND/OR IDENTIFYING AT LEAST ONE TARGET MICROORGANISM PRESENT ON A SURFACE BIOMERIEUX SA (FR) 2025-04-02 EP claimed
US-20250099650-A1 Vascular Extracellular Matrix Hydrogel UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2025-03-27 US claimed
US-12153039-B2 Methods and kits for detecting sperm dna fragmentation BONRAYBIO CO., LTD. (TW) 2024-11-26 US claimed
WO-2024213654-A1 GENTLE METHOD FOR PRODUCING TRANSPARENT BIOLOGICAL PREPARATIONS FOR EXAMINATION BY LIGHT MICROSCOPY GEORG-AUGUST-UNIVERSITÄT GÖTTINGEN STIFTUNG ÖFFENTLICHEN RECHTS (UNIVERSITÄTSMEDIZIN) (DE) 2024-10-17 WO claimed
EP-4446723-A1 GENTLE METHOD FOR PRODUCING TRANSPARENT BIOLOGICAL PREPARATIONS FOR A LIGHT MICROSCOPIC EXAMINATION Georg-August-Universität Göttingen Stiftung Öffentlichen Rechts, Universitätsmedizin (DE) 2024-10-16 EP claimed
EP-4428294-A2 A METHOD FOR PREPARATION OF VIRUCIDAL POLYMER TEXTILE MATERIALS AND VIRUCIDAL FACE MASKS MADE FROM SAID MATERIALS Jozef Stefan Institute (SI) 2024-09-11 EP claimed
US-20240000169-A1 A METHOD FOR PREPARATION OF VIRUCIDAL POLYMER TEXTILE MATERIALS AND VIRUCIDAL FACE MASKS MADE FROM SAID MATERIALS Jo{hacek over (z)}ef Stefan Institute (SI) 2024-01-04 US claimed
US-20200209118-A1 METHODS FOR LARGE TISSUE LABELING, CLEARING AND IMAGING DEEP PICTION GMBH (DE) 2020-07-02 US claimed
EP-3635363-A1 METHODS FOR LARGE TISSUE LABELING, CLEARING AND IMAGING Ertürk, Ali (DE) 2020-04-15 EP claimed
WO-2020002806-A1 METHOD FOR DETECTING AND/OR IDENTIFYING AT LEAST ONE TARGET MICROORGANISM PRESENT ON A SURFACE bioMérieux (FR) 2020-01-02 WO claimed
WO-2018224289-A1 METHODS FOR LARGE TISSUE LABELING, CLEARING AND IMAGING ERTUERK ALI (DE) 2018-12-13 WO claimed
EP-1949100-B1 METHOD OF TACROLIMUS EXTRACTION AND QUANTIFICATION USING AQUEOUS DETERGENTS ABBOTT LAB (US) 2011-08-03 EP claimed
US-7718380-B2 Method of tacrolimus extraction and quantification using aqueous detergents ABBOTT LABORATORIES (US) 2010-05-18 US claimed
US-20090275062-A1 METHOD OF TACROLIMUS EXTRACTION AND QUANTIFICATION USING AQUEOUS DETERGENTS ABBOTT LABORATORIES (US) 2009-11-05 US claimed
EP-1949100-A1 METHOD OF TACROLIMUS EXTRACTION AND QUANTIFICATION USING AQUEOUS DETERGENTS ABBOTT LABORATORIES (US) 2008-07-30 EP claimed
US-20070087396-A1 Method of tacrolimus extraction and quantification using aqueous detergents ABBOTT LABORATORIES 2007-04-19 US claimed
WO-2007044978-A1 METHOD OF TACROLIMUS EXTRACTION AND QUANTIFICATION USING AQUEOUS DETERGENTS ABBOTT LABORATORIES (US) 2007-04-19 WO 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-12569595-B2 Bioprosthetic tissue preparation BCHE, LNPEP, DPEP1 MEN1 4652/4885VDR 2271/4885EPHA2 811/4885

“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.