Water

Water

SCHEMBL2787039

CC(=O)NC(CNC(=O)C1CCCN(C(=O)CCC2CCNCC2)C1)C(=O)O.O.O.O

nearest known ligand 0.72

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
ITGB3 known ✓ P05106 20/20 0.72
ITGA2B known ✓ P08514 20/20 0.72
F2R P25116 14/20 0.72

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 SCHEMBL3495900 1.00 ITGB3 (0.72) ITGB3ITGA2BF2R
Water SCHEMBL2787036 1.00 ITGB3 (0.72) ITGB3ITGA2BF2R
Water SCHEMBL2877498 1.00 ITGB3 (0.72) ITGB3ITGA2BF2R
SCHEMBL14427009 0.99 ITGB3 (0.74) ITGB3ITGA2BF2R
SCHEMBL7738750 0.99 ITGB3 (0.74) ITGB3ITGA2BF2R
SCHEMBL29427716 0.99 ITGB3 (0.74) ITGB3ITGA2BF2R
SCHEMBL7815626 0.99 ITGB3 (0.74) ITGB3ITGA2BF2R
SCHEMBL6937887 0.99 ITGB3 (0.74) ITGB3ITGA2BF2R
SCHEMBL6935208 0.99 ITGB3 (0.74) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7500148 0.98 ITGB3 (0.72) ITGB3ITGA2BF2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279048-A1 COMPOSITIONS CONTAINING HC-HA/PTX3 COMPLEXES AND METHODS OF USE THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION 2023-09-07 US disclosed
EP-3838293-A1 COMPOSITIONS CONTAINING HC-HA/PTX3 COMPLEXES AND METHODS OF USE THEREOF Tissuetech, Inc. (US) 2021-06-23 EP disclosed
EP-2872181-B1 COMPOSITIONS CONTAINING HC-HA/PTX3 COMPLEXES AND METHODS OF USE THEREOF TISSUETECH INC (US) 2020-11-18 EP disclosed
US-10253065-B2 Compositions containing HC-HA/PTX3 complexes and methods of use thereof TISSUETECH, INC. (US) 2019-04-09 US disclosed
US-10040821-B2 Compositions containing HC-HA/PTX3 complexes and methods of use thereof TISSUETECH, INC. (US) 2018-08-07 US disclosed
US-10041120-B2 Predictive analysis for myocardial infarction SCRIPPS HEALTH (US) 2018-08-07 US disclosed
US-10029017-B2 Pretargeted activatable cell penetrating peptide with intracellularly releasable prodrug THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-24 US disclosed
US-9808532-B2 Peptides whose uptake in cells is controllable THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-07 US disclosed
US-20160376305-A1 COMPOSITIONS CONTAINING HC-HA/PTX3 COMPLEXES AND METHODS OF USE THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION 2016-12-29 US disclosed
US-20160095931-A1 COMPOSITIONS CONTAINING HC-HA COMPLEX AND METHODS OF USE THEREOF TISSUETECH, INC. 2016-04-07 US disclosed
US-9175066-B2 Compositions containing HC-HA complex and methods of use thereof TISSUETECH, INC. (US) 2015-11-03 US disclosed
EP-2421901-B1 COMPOSITIONS CONTAINING HC HA COMPLEX AND METHODS OF USE THEREOF TISSUE TECH INC (US) 2015-10-28 EP disclosed
US-20150166624-A1 COMPOSITIONS CONTAINING HC-HA/PTX3 COMPLEXES AND METHODS OF USE THEREOF TISSUETECH, INC. (US) 2015-06-18 US disclosed
EP-2729802-B1 METHOD OF ANALYZING CARDIOVASCULAR DISORDERS AND USES THEREOF SCRIPPS HEALTH (US) 2015-05-06 EP disclosed
US-20140005096-A1 METHODS OF TREATING INFLAMMATION CAROLUS THERAPEUTICS, INC. (US) 2014-01-02 US disclosed
US-20130157347-A1 Method of Analyzing Cardiovascular Disorders and Uses Thereof VERIDEX, LLC (US) 2013-06-20 US disclosed
US-20120134922-A1 PEPTIDES WHOSE UPTAKE IN CELLS IS CONTROLLABLE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-31 US disclosed
WO-2010124296-A2 COMPOSITIONS CONTAINING HC•HA COMPLEX AND METHODS OF USE THEREOF TISSUETECH, INC. (US) 2010-10-28 WO disclosed
US-20100183598-A1 METHODS OF TREATING CARDIOVASCULAR DISORDERS CAROLUS THERAPEUTICS, INC. (US) 2010-07-22 US disclosed
US-20100093636-A1 METHODS OF TREATING INFLAMMATION CAROLUS THERAPEUTICS, INC. (US) 2010-04-15 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 (2 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-10029017-B2 Pretargeted activatable cell penetrating peptide with intracellularly releasable prodrug DNPEP, FOLH1, CTSL ITGB3 2853/4885ITGA2B 1634/4885F2R 1389/4885
US-20100183598-A1 METHODS OF TREATING CARDIOVASCULAR DISORDERS TNNI3, TNNT2, FABP3 ITGB3 2597/4885ITGA2B 2511/4885F2R 2130/4885

“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.