Water

Water

SCHEMBL622142

CCOCc1nc2c(N)nc3c(c2n1CC(C)(C)O)CCCC3.O

nearest known ligand 0.58

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 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.58
TLR8 Q9NR97 15/20 0.58
NUDT1 P36639 1/20 0.58

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 SCHEMBL29421423 1.00 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL1538304 0.99 TLR7 (0.59) TLR7TLR8NUDT1
SCHEMBL22898779 0.88 TLR7 (0.47) TLR7TLR8NUDT1
SCHEMBL29606142 0.88 TLR7 (0.47) TLR7TLR8NUDT1
SCHEMBL24233531 0.88 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL22898723 0.87 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL25575011 0.87 TLR7 (0.46) TLR7TLR8NUDT1
Formic Acid SCHEMBL27211547 0.84 TLR7 (0.43) TLR7TLR8NUDT1
SCHEMBL7008452 0.83 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL24024902 0.82 TLR7 (0.43) TLR7TLR8NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744876-B2 Immunomodulator antibody drug conjugates and uses thereof SUTRO BIOPHARMA, INC. (US) 2023-09-05 US claimed
WO-2020252015-A1 IMMUNOMODULATOR ANTIBODY DRUG CONJUGATES AND USES THEREOF SUTRO BIOPHARMA, INC. (US) 2020-12-17 WO claimed
EP-1455700-A4 METHODS AND COMPOSITIONS RELATED TO IRM COMPOUNDS AND TOLL-LIKE RECEPTOR PATHWAYS 3M INNOVATIVE PROPERTIES CO (US) 2007-02-14 EP claimed
EP-1455700-A2 METHODS AND COMPOSITIONS RELATED TO IRM COMPOUNDS AND TOLL-LIKE RECEPTOR PATHWAYS 3M Innovative Properties Company (US) 2004-09-15 EP claimed
US-20040014779-A1 Methods and compositions related to IRM compounds and toll-like recptor pathways 3M INNOVATIVE PROPERTIES COMPANY 2004-01-22 US claimed
WO-2003043572-A2 METHODS AND COMPOSITIONS RELATED TO IRM COMPOUNDS AND TOLL-LIKE RECEPTOR PATHWAYS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-05-30 WO claimed
US-20250186581-A1 SOLANESOL VACCINE ADJUVANTS AND METHODS OF PREPARING SAME ACCESS TO ADVANCED HEALTH INSTITUTE 2025-06-12 US disclosed
US-12285483-B2 Solanesol vaccine adjuvants and methods of preparing same ACCESS TO ADVANCED HEALTH INSTITUTE (US) 2025-04-29 US disclosed
EP-2068918-B2 VACCINE COMPOSITION CONTAINING SYNTHETIC ADJUVANT ACCESS TO ADVANCED HEALTH INST (US) 2024-07-03 EP disclosed
US-20240139285-A1 IMMUNOMODULATOR ANTIBODY DRUG CONJUGATES AND USES THEREOF SUTRO BIOPHARMA INC (US) 2024-05-02 US disclosed
US-20240050561-A1 SOLANESOL VACCINE ADJUVANTS AND METHODS OF PREPARING SAME ACCESS TO ADVANCED HEALTH INSTITUTE 2024-02-15 US disclosed
US-11826422-B2 Methods and compositions for adaptive immune modulation BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-11-28 US disclosed
US-11801223-B2 Single vial vaccine formulations ACCESS TO ADVANCED HEALTH INSTITUTE (US) 2023-10-31 US disclosed
US-20050245564-A1 Methods and compositions related to IRM compounds and toll-like receptor pathways 3M INNOVATIVE PROPERTIES COMPANY 2005-11-03 US disclosed
WO-2005027841-A2 CELLS, COMPOSITIONS AND METHODS FOR REPRESSING B CELL AUTOANTIBODY SECRETION AND FOR TREATING AUTOIMMUNE DISEASE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-03-31 WO disclosed
WO-2005023190-A2 TREATMENT FOR CD5+ B CELL LYMPHOMA 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-17 WO disclosed
US-20050054665-A1 Treatment for CD5+ B cell lymphoma 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US disclosed
EP-1455700-A2 METHODS AND COMPOSITIONS RELATED TO IRM COMPOUNDS AND TOLL-LIKE RECEPTOR PATHWAYS 3M Innovative Properties Company (US) 2004-09-15 EP disclosed
US-20040014779-A1 Methods and compositions related to IRM compounds and toll-like recptor pathways 3M INNOVATIVE PROPERTIES COMPANY 2004-01-22 US disclosed
WO-2003043572-A2 METHODS AND COMPOSITIONS RELATED TO IRM COMPOUNDS AND TOLL-LIKE RECEPTOR PATHWAYS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-05-30 WO 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 (7 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-20240050561-A1 SOLANESOL VACCINE ADJUVANTS AND METHODS OF PREPARING SAME SQLE, FDFT1, SGMS1 TLR7 145/4885TLR8 68/4885NUDT1 4708/4885
US-20240139285-A1 IMMUNOMODULATOR ANTIBODY DRUG CONJUGATES AND USES THEREOF FCGR2A, FCGR1A, FCGR3B TLR7 212/4885TLR8 80/4885NUDT1 2523/4885
US-12285483-B2 Solanesol vaccine adjuvants and methods of preparing same SQLE, FDFT1, SGMS1 TLR7 145/4885TLR8 68/4885NUDT1 4708/4885
US-11801223-B2 Single vial vaccine formulations SQLE, ICOS, IL17A TLR7 60/4885TLR8 691/4885NUDT1 3788/4885
US-20250186581-A1 SOLANESOL VACCINE ADJUVANTS AND METHODS OF PREPARING SAME SQLE, FDFT1, SGMS1 TLR7 145/4885TLR8 68/4885NUDT1 4708/4885
US-11744876-B2 Immunomodulator antibody drug conjugates and uses thereof FCGR1A, FCGR2A, FCGRT TLR7 210/4885TLR8 87/4885NUDT1 2396/4885
US-20040014779-A1 Methods and compositions related to IRM compounds and toll-like recptor pathways TLR4, TLR3, TLR6 TLR7 8/4885TLR8 7/4885NUDT1 1145/4885

“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.