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 SCHEMBL1978000 | 1.00 | — | — | |
| Water SCHEMBL30090907 | 1.00 | — | — | |
| Water SCHEMBL28666402 | 1.00 | — | — | |
| Water SCHEMBL273601 | 1.00 | — | — | |
| Water SCHEMBL5671436 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL29444058 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL3916959 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL18840 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1180859 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL3913861 | 0.82 | CYP3A4 (0.33) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118253323-A | Aromatic amine-terminated polyether catalyst and preparation method and application thereof | 中国石油化工股份有限公司 | 2024-06-28 | — | — | CN | claimed |
| CN-114392765-B | Nitrogen doped PHCS-Zn 2 In 2 S 5 Composite photocatalyst, preparation method and application thereof | 河南师范大学 | 2024-02-02 | — | — | CN | claimed |
| CN-114392765-A | Nitrogen-doped PHCS-Zn2In2S5Composite photocatalyst, preparation method and application thereof | 河南师范大学 | 2022-04-26 | — | — | CN | claimed |
| CN-118253323-A | Aromatic amine-terminated polyether catalyst and preparation method and application thereof | 中国石油化工股份有限公司 | 2024-06-28 | — | — | CN | disclosed |
| CN-114392765-B | Nitrogen doped PHCS-Zn 2 In 2 S 5 Composite photocatalyst, preparation method and application thereof | 河南师范大学 | 2024-02-02 | — | — | CN | disclosed |
| CN-114392765-A | Nitrogen-doped PHCS-Zn2In2S5Composite photocatalyst, preparation method and application thereof | 河南师范大学 | 2022-04-26 | — | — | CN | disclosed |
| US-20170239377-A1 | MOLECULAR PROBES FOR MULTIMODALITY IMAGING AND TRACKING OF STEM CELLS | UNIV MASSACHUSETTS (US) | 2017-08-24 | — | — | US | disclosed |
| US-9492571-B2 | Molecular probes for multimodality imaging and tracking of stem cells | UNIVERSITY OF MASSACHUSETTS (US) | 2016-11-15 | — | — | US | disclosed |
| US-20150125388-A1 | MOLECULAR PROBES FOR MULTIMODALITY IMAGING AND TRACKING OF STEM CELLS | Vniversity of Massachusetts Medical School (US) | 2015-05-07 | — | — | US | disclosed |
| WO-2013181119-A1 | MOLECULAR PROBES FOR MULTIMODALITY IMAGING AND TRACKING OF STEM CELLS | UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) | 2013-12-05 | — | — | WO | disclosed |
| US-5167876-A | Protective clothing; military aircraft interiors | ALLIED-SIGNAL INC. (US) | 1992-12-01 | — | — | US | disclosed |
| WO-1992010363-A1 | FLAME RESISTANT BALLISTIC COMPOSITE | ALLIED-SIGNAL INC. (US) | 1992-06-25 | — | — | WO | disclosed |
| US-4863706-A | TOOLS, BLADES, TOOLS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-09-05 | — | — | US | disclosed |
| US-4816239-A | GELATION, BORATION, DEHYDRATION ROASTING | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-03-28 | — | — | US | disclosed |
| US-4731234-A | Process for producing zirconium sols and gels, and process for producing zirconia using the same | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-03-15 | — | — | US | disclosed |