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 | |
|---|---|---|---|---|
| Water SCHEMBL230128 | 1.00 | — | — | |
| Water SCHEMBL1133296 | 1.00 | — | — | |
| Bromide SCHEMBL1159481 | 0.82 | — | — | |
| Bromide SCHEMBL66683 | 0.82 | — | — | |
| Bromide SCHEMBL5945150 | 0.82 | — | — | |
| Water SCHEMBL25327325 | 0.67 | — | — | |
| Water SCHEMBL5712989 | 0.67 | — | — | |
| Bromide SCHEMBL4564556 | 0.67 | — | — | |
| Water SCHEMBL3699635 | 0.67 | — | — | |
| Water SCHEMBL11727068 | 0.67 | — | — |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114907197-B | Preparation method of biaziridine-based photocrosslinking probe intermediate and derivative | 中国人民解放军海军军医大学 | 2024-01-02 | — | — | CN | claimed |
| CN-114956925-A | Green and efficient preparation method of aliphatic ketone | 中国人民解放军海军军医大学 | 2022-08-30 | — | — | CN | claimed |
| CN-114907197-A | Preparation method of bis-aziridinyl photocrosslinking probe intermediate and derivative | 中国人民解放军海军军医大学 | 2022-08-16 | — | — | CN | claimed |
| CN-114874081-A | Preparation method of green efficient alpha-functionalized ketone | 中国人民解放军海军军医大学 | 2022-08-09 | — | — | CN | claimed |
| CN-114874061-A | Preparation method of prasugrel intermediate and analogue thereof | 中国人民解放军海军军医大学 | 2022-08-09 | — | — | CN | claimed |
| CN-114907197-B | Preparation method of biaziridine-based photocrosslinking probe intermediate and derivative | 中国人民解放军海军军医大学 | 2024-01-02 | — | — | CN | disclosed |
| CN-114874081-B | Preparation method of green efficient alpha-functionalized ketone | 中国人民解放军海军军医大学 | 2023-12-22 | — | — | CN | disclosed |
| CN-114874061-B | Preparation method of prasugrel intermediate and analogues thereof | 中国人民解放军海军军医大学 | 2023-12-22 | — | — | CN | disclosed |
| CN-116747909-A | Iridium-rhenium bimetallic complex immobilized catalyst, and preparation method and application thereof | 山东海科创新研究院有限公司 | 2023-09-15 | — | — | CN | disclosed |
| CN-114956925-A | Green and efficient preparation method of aliphatic ketone | 中国人民解放军海军军医大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-114907197-A | Preparation method of bis-aziridinyl photocrosslinking probe intermediate and derivative | 中国人民解放军海军军医大学 | 2022-08-16 | — | — | CN | disclosed |
| CN-114874061-A | Preparation method of prasugrel intermediate and analogue thereof | 中国人民解放军海军军医大学 | 2022-08-09 | — | — | CN | disclosed |
| US-20080100903-A1 | MULTI-LAYER LIGAND EXCHANGE THERMOCHROMIC SYSTEMS | PLEOTINT, LLC (US) | 2008-05-01 | — | — | US | disclosed |
| US-20080100902-A1 | LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS | PLEOTINT, LLC (US) | 2008-05-01 | — | — | US | disclosed |
| WO-2008028128-A1 | LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS | PLEOTINT, L.L.C. (US) | 2008-03-06 | — | — | WO | disclosed |
| EP-0835277-B1 | POLYARYLENE SULPHIDES WITH POLYMER-BOUND PHOSPHONIUM SALTS AND PROCESS FOR PRODUCING THEM | CELANESE VENTURES GMBH (DE) | 2003-09-17 | — | — | EP | disclosed |
| EP-0834470-B1 | Process for preparing lithium nickel material and non-aqueous secondary battery having positive electrode prepared from this material | SHARP KK (JP) | 2003-08-06 | — | — | EP | disclosed |
| US-6103421-A | Process of producing a positive electrode active material and nonaqueous secondary battery using the same | SHARP KABUSHIKI KAISHA (JP) | 2000-08-15 | — | — | US | disclosed |
| US-6077918-A | PREPARING A PHOSPHONIUM IONOMER BY REACTING A BROMINATED POLYARYLENE SULFIDE AND TRIPHENYLPHOSPHINE IN THE PRESENCE OF A TRANSITION METAL HALIDE AND A PROTIC APOLAR LIQUID. | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-06-20 | — | — | US | disclosed |
| EP-0834470-A2 | Process for preparing lithium nickel material and non-aqueous secondary battery having positive electrode prepared from this material | SHARP KABUSHIKI KAISHA (JP) | 1998-04-08 | — | — | EP | disclosed |