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.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4133917 | 1.00 | — | — | |
| SCHEMBL3648065 | 1.00 | — | — | |
| SCHEMBL331 | 1.00 | — | — | |
| SCHEMBL27509800 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL7121633 | 0.94 | — | — | |
| SCHEMBL28305381 | 0.94 | — | — | |
| SCHEMBL1567 | 0.93 | — | — | |
| Water SCHEMBL645100 | 0.93 | — | — | |
| Hydrazine SCHEMBL6324276 | 0.88 | — | — | |
| Cyanide SCHEMBL2337100 | 0.88 | — | — |
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 268 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6727279-B2 | CENTRAL NERVOUS SYSTEM DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 2004-04-27 | — | — | US | claimed |
| US-6469054-B1 | PROPHYLAXIS AND TREATMENT OF NEURODEGENERATIVE DISORDERS, IN PARTICULAR FOR THE TREATMENT OF CEREBRAL APOPLEXY, CRANIOCEREBRAL TRAUMA, PAIN AND SPASTICITY | BAYER AKTIENGESELLSHAFT (DE) | 2002-10-22 | — | — | US | claimed |
| WO-1996000391-A1 | METHODS FOR THE SYNTHESIS OF DIKETOPIPERAZINES | AFFYMAX TECHNOLOGIES N.V. (AN) | 1996-01-04 | — | — | WO | claimed |
| EP-2989156-B1 | PHYTOGLYCOGEN NANOPARTICLES AND METHODS OF MANUFACTURE THEREOF | MIBELLE AG (CH) | 2024-05-01 | — | — | EP | disclosed |
| EP-4356971-A2 | MODULATORS OF THE INTEGRATED STRESS PATHWAY | Calico Life Sciences LLC (US) | 2024-04-24 | — | — | EP | disclosed |
| EP-4353719-A1 | ADDITION SALT OF S1P1 RECEPTOR AGONIST AND CRYSTAL FORM THEREOF, AND PHARMACEUTICAL COMPOSITION | SUZHOU CONNECT BIOPHARMACEUTICALS, LTD. (CN) | 2024-04-17 | — | — | EP | disclosed |
| EP-3792258-B1 | ADDITION SALT OF S1P1 RECEPTOR AGONIST AND CRYSTAL FORM THEREOF, AND PHARMACEUTICAL COMPOSITION | SUZHOU CONNECT BIOPHARMACEUTICALS LTD (CN) | 2024-02-07 | — | — | EP | disclosed |
| US-11883489-B2 | Mucosal adjuvants and delivery systems | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) | 2024-01-30 | — | — | US | disclosed |
| US-11732016-B2 | Polypeptide exhibiting granulocyte-colony stimulating factor activity | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2023-08-22 | — | — | US | disclosed |
| US-20230050777-A1 | ADDITION SALT OF S1P1 RECEPTOR AGONIST AND CRYSTAL FORM THEREOF, AND PHARMACEUTICAL COMPOSITION | CONNECT BIOPHARMA HONGKONG LIMITED (HK) | 2023-02-16 | — | — | US | disclosed |
| US-11512078-B2 | Addition salt of S1P1 receptor agonist and crystal form thereof, and pharmaceutical composition | SUZHOU CONNECT BIOPHARMACEUTICALS, LTD. (CN) | 2022-11-29 | — | — | US | disclosed |
| WO-1992008790-A1 | CONJUGATES OF POLY(VINYLSACCHARIDE) WITH PROTEINS FOR THE STABILIZATION OF PROTEINS | CARGILL, INCORPORATED (US) | 1992-05-29 | — | — | WO | disclosed |
| WO-1992000748-A1 | POLY(ALKYLENE OXIDE) AMINO ACID COPOLYMERS AND DRUG CARRIERS AND CHARGED COPOLYMERS BASED THEREON | ENZON, INC. (US) | 1992-01-23 | — | — | WO | disclosed |
| WO-1991005262-A1 | BIOANALYTICAL DETECTION SYSTEM | UNIVERSITY OF MICHIGAN (US) | 1991-04-18 | — | — | WO | disclosed |
| US-4965279-A | Thromboxane antagonist | E. R. SQUIBB & SONS, INC. (US) | 1990-10-23 | — | — | US | disclosed |
| US-4900685-A | INDICATOR PARTICLES PRESENT IN BLOOD ARE MEASURED BY IMMUNOASSAYS; QUICK, SIMPLE | CYTOSIGNET, INC. (US) | 1990-02-13 | — | — | US | disclosed |
| EP-0345277-A1 | ANALYTE DETECTION IN PARTICULATE-CONTAINING SAMPLES. | CYTOSIGNET INC (US) | 1989-12-13 | — | — | EP | disclosed |
| WO-1988005913-A1 | ANALYTE DETECTION IN PARTICULATE-CONTAINING SAMPLES | CYTOSIGNET, INC. (US) | 1988-08-11 | — | — | WO | disclosed |
| US-4568687-A | THROMBOXANE SYNTHETASE TNZYME INHIBITORS; HYPOTENSIVE AGENTS, CARDIOTONIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1986-02-04 | — | — | US | disclosed |
| EP-0000644-A2 | Lower cycloalkyl substituted-benzene derivatives, the preparation thereof and their pharmaceutical compositions | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1979-02-07 | — | — | EP | disclosed |