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 | |
|---|---|---|---|---|
| SCHEMBL42213 | 0.97 | — | — | |
| Methane SCHEMBL27414455 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL2877041 | 0.94 | — | — | |
| SCHEMBL10311780 | 0.92 | MEN1 (0.52) | — | |
| SCHEMBL2483106 | 0.92 | MEN1 (0.52) | — | |
| SCHEMBL2558562 | 0.92 | MEN1 (0.52) | — | |
| SCHEMBL11143832 | 0.90 | — | — | |
| Ethylene Glycol SCHEMBL2483104 | 0.87 | MEN1 (0.48) | — | |
| SCHEMBL5884545 | 0.87 | MEN1 (0.48) | — | |
| Bicarbonate SCHEMBL27990101 | 0.85 | MEN1 (0.47) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110713577-B | Expansion monomer modified light-cured resin and preparation method thereof | 点铂医疗科技（常州）有限公司 | 2022-05-27 | — | — | CN | claimed |
| CN-110713577-A | Expansion monomer modified light-cured resin and preparation method thereof | 点铂医疗科技（常州）有限公司 | 2020-01-21 | — | — | CN | claimed |
| CN-115874442-A | Nano ATO modified antistatic agent for spinning oil and preparation method thereof | 科凯精细化工（上海）有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-110713577-B | Expansion monomer modified light-cured resin and preparation method thereof | 点铂医疗科技（常州）有限公司 | 2022-05-27 | — | — | CN | disclosed |
| CN-108547149-B | Preparation method of antistatic agent for spinning oil | 科凯精细化工（上海）有限公司 | 2021-05-04 | — | — | CN | disclosed |
| CN-110713577-A | Expansion monomer modified light-cured resin and preparation method thereof | 点铂医疗科技（常州）有限公司 | 2020-01-21 | — | — | CN | disclosed |
| CN-103649266-B | Photochromic composition | TOKUYAMA CORP. (JP) | 2016-04-06 | — | — | CN | disclosed |