Water

Water

SCHEMBL2026850

CC1(C)CC(OP(=O)(O)O)CC(C)(C)N1[O].O

nearest known ligand 0.36

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 5)

geneUniProtsupporting neighboursconfidence
INPP5A Q14642 1/20 0.36
ITPR3 Q14573 4/20 0.34
SMPD1 P17405 1/20 0.31
ITPR2 Q14571 1/20 0.30
ITPR1 Q14643 1/20 0.30

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
SCHEMBL252069 0.98 INPP5A (0.37) INPP5AITPR3SMPD1ITPR2ITPR1
SCHEMBL6567878 0.86 INPP5A (0.36) INPP5AITPR3
SCHEMBL601363 0.82 GAA (0.41) INPP5AITPR3SMPD1ITPR2ITPR1
SCHEMBL14165319 0.82 INPP5A (0.37) INPP5AITPR3SMPD1ITPR2ITPR1
SCHEMBL29389192 0.79 INPP5A (0.35) INPP5AITPR3SMPD1
SCHEMBL14409850 0.79 INPP5A (0.35) INPP5AITPR3SMPD1
SCHEMBL5072013 0.75 INPP5A (0.33) INPP5AITPR3
SCHEMBL601437 0.75 INPP5A (0.33) INPP5AITPR3
SCHEMBL7945649 0.74 INPP5A (0.34) INPP5A
SCHEMBL10586976 0.72 GAA (0.41) INPP5AITPR3SMPD1ITPR2ITPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3065944-B1 MODIFICATION OF POLYAMIDES ARKEMA INC (US) 2022-01-19 EP claimed
US-20210361784-A1 IMAGING AGENTS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2021-11-25 US claimed
US-10953113-B2 Imaging agents and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2021-03-23 US claimed
US-20200078477-A1 IMAGING AGENTS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2020-03-12 US claimed
EP-3548021-A1 IMAGING AGENTS AND METHODS OF USE The Board of Regents of the University of Oklahoma (US) 2019-10-09 EP claimed
EP-3116951-B1 TIN-FREE CATALYSTS FOR CROSS-LINKED POLYETHYLENE PIPE AND WIRE SACO AEI POLYMERS INC (US) 2019-10-02 EP claimed
WO-2018102574-A9 IMAGING AGENTS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2018-08-23 WO claimed
WO-2018102574-A1 IMAGING AGENTS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2018-06-07 WO claimed
US-9441103-B2 Tin-free catalysts for cross-linked polyethylene pipe and wire SACO AEI POLYMERS, INC. (US) 2016-09-13 US claimed
EP-3755675-B1 ACCELERATED PEROXIDE-CURED RESIN COMPOSITIONS HAVING EXTENDED OPEN TIMES ARKEMA INC (US) 2026-05-13 EP disclosed
US-12486381-B2 Accelerated peroxide-cured resin compositions having extended open times ARKEMA INC. (US) 2025-12-02 US disclosed
US-12458703-B2 Responsive elastic polymers and methods of making and using same PURDUE RESEARCH FOUNDATION (US) 2025-11-04 US disclosed
EP-3559153-B1 EFFICIENT CURATIVE FOR FREE RADICALLY-CROSSLINKABLE POLYMERS ARKEMA INC (US) 2025-07-30 EP disclosed
CN-119978237-A Responsive elastomeric polymers and methods of making and using the same 珀杜研究基金会 2025-05-13 CN disclosed
WO-2013130297-A1 MULTIPHOTON CURING METHODS USING NEGATIVE CONTRAST COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-09-06 WO disclosed
US-20120241158-A1 RADICAL TRAP IN OIL AND GAS STIMULATION OPERATIONS ARKEMA INC. (US) 2012-09-27 US disclosed
WO-2011071797-A1 RADICAL TRAP IN OIL AND GAS STIMULATION OPERATIONS ARKEMA INC. (US) 2011-06-16 WO disclosed
US-20040241663-A1 Ligand array processing methods that include a high surface tension fluid deposition step and compositions for practicing the same AGILENT TECHNOLOGIES, INC. 2004-12-02 US disclosed
US-20040241742-A1 Ligand array processing methods that include a low surface tension fluid deposition step and compositions for practicing the same AGILENT TECHNOLOGIES, INC. 2004-12-02 US disclosed
US-20040241880-A1 Ligand array assays having reduced fluorescent dye degradation and compositions for practicing the same AGILENT TECHNOLOGIES, INC. 2004-12-02 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 (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-12458703-B2 Responsive elastic polymers and methods of making and using same CD44, HCAR3, HCAR1 INPP5A 3595/4885ITPR3 3789/4885SMPD1 2642/4885

“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.