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 SCHEMBL28499685 | 1.00 | — | — | |
| Water SCHEMBL220104 | 1.00 | — | — | |
| Water SCHEMBL8678867 | 1.00 | — | — | |
| Water SCHEMBL15572 | 1.00 | — | — | |
| Water SCHEMBL2838869 | 1.00 | — | — | |
| Water SCHEMBL1817588 | 0.89 | — | — | |
| Water SCHEMBL1846311 | 0.89 | — | — | |
| Water SCHEMBL10608355 | 0.89 | — | — | |
| Water SCHEMBL5030484 | 0.89 | — | — | |
| Water SCHEMBL10659100 | 0.89 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118955771-A | 4D printable hydrogel precursor composition, hydrogel with programmable shape memory effect and preparation method thereof | 清华大学 | 2024-11-15 | — | — | CN | claimed |
| CN-115090255-A | Zirconium-aluminum modified dephosphorization filler, and preparation method, regeneration method and application thereof | 上海交通大学 | 2022-09-23 | — | — | CN | claimed |
| CN-122067923-A | Layered MFI molecular sieve/reduced graphene oxide composite material and preparation method and application thereof | 广东工业大学 | 2026-05-19 | — | — | CN | disclosed |
| CN-118955771-A | 4D printable hydrogel precursor composition, hydrogel with programmable shape memory effect and preparation method thereof | 清华大学 | 2024-11-15 | — | — | CN | disclosed |
| CN-115090255-A | Zirconium-aluminum modified dephosphorization filler, and preparation method, regeneration method and application thereof | 上海交通大学 | 2022-09-23 | — | — | CN | disclosed |
| US-8207250-B2 | Polycarbonate resin composition and process for producing the same | NISSAN MOTOR CO., LTD. (JP) | 2012-06-26 | — | — | US | disclosed |
| US-20100256270-A1 | POLYCARBONATE RESIN COMPOSITION AND PROCESS FOR PRODUCING THE SAME | NISSAN MOTOR CO., LTD. | 2010-10-07 | — | — | US | disclosed |
| EP-2172521-A1 | POLYCARBONATE RESIN COMPOSITION AND PROCESS FOR PRODUCING THE SAME | Mitsubishi Chemical Corporation (JP) | 2010-04-07 | — | — | EP | disclosed |