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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.40 |
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.40 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.50 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.43 |
| ▸ | SUMO2 | P61956 | 1/20 | 0.41 |
| ▸ | SUMO1 | P63165 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP3 | Q9H4L4 | 1/20 | 0.41 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.41 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
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 SCHEMBL29811409 | 0.98 | MYC (0.52) | MYCRAPGEF4SUMO2SUMO1SENP7 | |
| Water SCHEMBL7115 | 0.98 | MYC (0.52) | MYCRAPGEF4SUMO2SUMO1SENP7 | |
| Water SCHEMBL3917281 | 0.98 | MYC (0.52) | MYCRAPGEF4SUMO2SUMO1SENP7 | |
| Water SCHEMBL1739275 | 0.98 | MYC (0.52) | MYCRAPGEF4SUMO2SUMO1SENP7 | |
| Water SCHEMBL8126703 | 0.98 | MYC (0.52) | MYCRAPGEF4SUMO2SUMO1SENP7 | |
| SCHEMBL10412789 | 0.98 | MYC (0.52) | MYCRAPGEF4SUMO2SUMO1SENP7 | |
| SCHEMBL6916899 | 0.98 | MYC (0.52) | MYCRAPGEF4SUMO2SUMO1SENP7 | |
| Water SCHEMBL28847082 | 0.95 | MYC (0.50) | MYCRAPGEF4SUMO2SUMO1SENP7 | |
| Water SCHEMBL11621674 | 0.95 | MYC (0.50) | MYCRAPGEF4SUMO2SUMO1SENP7 | |
| Water SCHEMBL6305544 | 0.95 | MYC (0.50) | MYCRAPGEF4SUMO2SUMO1SENP7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2527297-B1 | PROCESS FOR PRODUCTION OF ZINC TOLUENESULFONATE, ZINC TOLUENESULFONATE, AND PROCESS FOR PRODUCTION OF CARBAMATE | MITSUI CHEMICALS INC (JP) | 2018-11-21 | — | — | EP | disclosed |
| US-8664420-B2 | Process for production of zinc toluenesulfonate, zinc toluenesulfonate, and process for production of carbamate | MITSUI CHEMICALS, INC. (JP) | 2014-03-04 | — | — | US | disclosed |
| US-20120259134-A1 | PROCESS FOR PRODUCTION OF ZINC TOLUENESULFONATE, ZINC TOLUENESULFONATE, AND PROCESS FOR PRODUCTION OF CARBAMATE | MITSUI CHEMICALS, INC. | 2012-10-11 | — | — | US | disclosed |