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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.46 |
| ▸ | DRD4 known ✓ | P21917 | 2/20 | 0.37 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.36 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.35 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8847229 | 0.98 | ALDH1A1 (0.48) | ALDH1A1MAPK1TRPA1GSK3BHIF1A | |
| Water SCHEMBL11163579 | 0.77 | GSK3B (0.46) | ALDH1A1MAPK1TRPA1GSK3BATM | |
| SCHEMBL27597355 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPK1TRPA1GSK3BHIF1A | |
| SCHEMBL265668 | 0.77 | GSK3B (0.50) | ALDH1A1MAPK1GSK3BATMCA1 | |
| SCHEMBL27348502 | 0.77 | KMT2A (0.45) | ALDH1A1MAPK1TRPA1GSK3BHIF1A | |
| SCHEMBL2470468 | 0.76 | ATM (0.48) | ALDH1A1MAPK1ATMCA12CA1 | |
| SCHEMBL29036947 | 0.76 | CES2 (0.39) | CA1CA2SMN1; SMN2RAB9ADRD4 | |
| SCHEMBL11383261 | 0.76 | ALDH1A1 (0.45) | ALDH1A1MAPK1TRPA1GSK3BHIF1A | |
| SCHEMBL3891431 | 0.74 | GSK3B (0.48) | ALDH1A1MAPK1TRPA1GSK3BATM | |
| SCHEMBL6161952 | 0.74 | GSK3B (0.48) | ALDH1A1MAPK1TRPA1GSK3BATM |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0020970-A1 | Alpha-chloroacetophenonoxime ethers and process for their preparation | BASF Aktiengesellschaft (DE) | 1981-01-07 | — | — | EP | claimed |
| EP-0052742-A1 | Process for the preparation of alpha chloro-ketoximethers | BASF Aktiengesellschaft (DE) | 1982-06-02 | — | — | EP | disclosed |
| EP-0020970-A1 | Alpha-chloroacetophenonoxime ethers and process for their preparation | BASF Aktiengesellschaft (DE) | 1981-01-07 | — | — | EP | disclosed |
| EP-0020970-A1 | Alpha-chloroacetophenonoxime ethers and process for their preparation | BASF Aktiengesellschaft (DE) | 1981-01-07 | — | — | EP | disclosed |
| EP-0020970-A1 | Alpha-chloroacetophenonoxime ethers and process for their preparation | BASF Aktiengesellschaft (DE) | 1981-01-07 | — | — | EP | disclosed |