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 | |
|---|---|---|---|---|
| SCHEMBL8866409 | 0.97 | — | — | |
| Water SCHEMBL28099892 | 0.77 | — | — | |
| SCHEMBL19835981 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL16384306 | 0.73 | — | — | |
| SCHEMBL1425006 | 0.73 | — | — | |
| SCHEMBL438759 | 0.73 | — | — | |
| SCHEMBL1669422 | 0.73 | — | — | |
| SCHEMBL438321 | 0.73 | — | — | |
| Water SCHEMBL11525809 | 0.72 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL11098954 | 0.71 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150315142-A1 | PROCESS TO OBTAIN IMIDAZOLINE MIXTURES FROM VEGETABLE OILS | CORROSION Y PROTECCION SA DE CV (MX) | 2015-11-05 | — | — | US | disclosed |
| WO-2005063962-A1 | SYSTEM FOR COMMINUTING, EXTRACTING AND DETECTING ANALYTES IN SOLD BIOLOGICAL SAMPLES | DRUG RISK SOLUTIONS, INC. (US) | 2005-07-14 | — | — | WO | disclosed |
| EP-0643758-B1 | POLY(VINYL ETHER) AMINES AND FUEL COMPOSITIONS CONTAINING THE SAME | CHEVRON CHEM CO (US) | 2000-01-05 | — | — | EP | disclosed |
| US-5814653-A | SUMATRIPTAN FOR RELIEF OF MIGRAINE PAIN AND OTHER DISORDERS ASSOCIATED WITH PEPTIDE EXTRAVASATION DIE TO STUMULATION OF THE TRIGEMINAL GANGLIA; 5-HT 1F AGONISTS | ELI LILLY AND COMPANY (US) | 1998-09-29 | — | — | US | disclosed |
| US-5708187-A | MIGRANE HEADACHES | ELI LILLY AND COMPANY (US) | 1998-01-13 | — | — | US | disclosed |
| EP-0643758-A4 | POLY(VINYL ETHER) AMINES AND FUEL COMPOSITIONS CONTAINING THE SAME. | CHEVRON CHEM CO (US) | 1995-09-27 | — | — | EP | disclosed |
| EP-0643758-A1 | POLY(VINYL ETHER) AMINES AND FUEL COMPOSITIONS CONTAINING THE SAME | CHEVRON CHEMICAL COMPANY (US) | 1995-03-22 | — | — | EP | disclosed |
| WO-1994022987-A1 | POLY(VINYL ETHER) AMINES AND FUEL COMPOSITIONS CONTAINING THE SAME | CHEVRON RESEARCH AND TECHNOLOGY COMPANY, A DIVISION OF CHEVRON U.S.A. INC. (US) | 1994-10-13 | — | — | WO | disclosed |
| US-5306315-A | Fuel additive; antideposit agents; fuel concentrate | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1994-04-26 | — | — | US | disclosed |
| US-5306316-A | Poly(alkylene ether) amines having a hydroxy(oxypropylene) connecting group | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1994-04-26 | — | — | US | disclosed |