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.
Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 SCHEMBL271474 | 0.98 | — | — | |
| Water SCHEMBL5878365 | 0.95 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL3314587 | 0.95 | — | — | |
| SCHEMBL6560379 | 0.95 | — | — | |
| SCHEMBL3314586 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL11374338 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL11374337 | 0.93 | — | — | |
| SCHEMBL6751259 | 0.86 | TSHR (0.39) | ALDH1A1 | |
| SCHEMBL6751262 | 0.86 | TSHR (0.39) | ALDH1A1 | |
| SCHEMBL6751260 | 0.86 | TSHR (0.39) | ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6989453-B2 | Method of producing a cyclohexenone oxime ether lithium salt, products which can be obtained using this method, the use thereof and corresponding plant protection agents | BASF AKTIENGESELLSCHAFT (DE) | 2006-01-24 | — | — | US | disclosed |
| US-6831041-B2 | Based on 2-(1-(2-(4-chlorophenoxy)propoxyimino)butyl)-3-hydroxy-5 -(tetrahydrothiopyran-3-yl)cyclohex-2-enone lithium salt; containing dicarboxylic ester with anionic and nonionic surfactants; stability; rice herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2004-12-14 | — | — | US | disclosed |
| US-20040097374-A1 | Oil suspension concentrates based on a cyclohexenone oxime ether lithium salt and the use thereof as plant protection agents | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |
| US-20040014988-A1 | Method for producing a cyclohexenone oxime ether lithium salt, products which can be obtained using this method, the use thereof and corresponding plant protection agents | BASF AKTIENGESELLSCHAFT (DE) | 2004-01-22 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040097374-A1 | Oil suspension concentrates based on a cyclohexenone oxime ether lithium salt and the use thereof as plant protection agents | OXSR1, SCD, PAOX | ALDH1A1 2097/4885 |
| US-20040014988-A1 | Method for producing a cyclohexenone oxime ether lithium salt, products which can be obtained using this method, the use thereof and corresponding plant protection agents | CYP8B1, PAH, HCN2 | ALDH1A1 2635/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.