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 | |
|---|---|---|---|---|
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.41 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.41 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 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 SCHEMBL11852121 | 0.98 | HSD11B1 (0.44) | HSD11B1TSHRGAAHSD17B10ALDH1A1 | |
| SCHEMBL50612 | 0.98 | HSD11B1 (0.47) | HSD11B1TSHRGAAHSD17B10ALDH1A1 | |
| SCHEMBL30454753 | 0.98 | HSD11B1 (0.47) | HSD11B1TSHRGAAHSD17B10ALDH1A1 | |
| SCHEMBL6908684 | 0.95 | HSD11B1 (0.46) | HSD11B1TSHRGAAHSD17B10ALDH1A1 | |
| SCHEMBL6908686 | 0.95 | HSD11B1 (0.46) | HSD11B1TSHRGAAHSD17B10ALDH1A1 | |
| SCHEMBL6917692 | 0.95 | HSD11B1 (0.46) | HSD11B1TSHRGAAHSD17B10ALDH1A1 | |
| SCHEMBL3709429 | 0.95 | HSD11B1 (0.46) | HSD11B1TSHRGAAHSD17B10ALDH1A1 | |
| SCHEMBL6913307 | 0.95 | HSD11B1 (0.46) | HSD11B1TSHRGAAHSD17B10ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL11794102 | 0.95 | HSD11B1 (0.46) | HSD11B1TSHRGAAHSD17B10ALDH1A1 | |
| SCHEMBL6918638 | 0.95 | HSD11B1 (0.46) | HSD11B1TSHRGAAHSD17B10ALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6116231-A | — | — | None | — | — | JP | disclosed |
| JP-5097795-A | — | — | None | — | — | JP | disclosed |
| JP-H06116231-A | PURIFICATION OF 4,4'-DICHLORODIPHENYLSULFONE | UBE IND LTD | 1994-04-26 | — | — | JP | disclosed |
| JP-H0597795-A | METHOD FOR SEPARATING DICHLORODIPHENYLSULFONE | UBE IND LTD | 1993-04-20 | — | — | JP | disclosed |
| EP-0280725-B1 | IMPROVEMENT FOR PROCESSES FOR PREPARING DIARYL SULFONES | AMOCO CORP (US) | 1990-11-14 | — | — | EP | disclosed |
| US-4937387-A | Processes for preparing diaryl sulfones | AMOCO CORPORATION (US) | 1990-06-26 | — | — | US | disclosed |
| EP-0280725-A4 | IMPROVEMENT FOR PROCESSES FOR PREPARING DIARYL SULFONES. | AMOCO CORP (US) | 1988-11-24 | — | — | EP | disclosed |
| EP-0280725-A1 | IMPROVEMENT FOR PROCESSES FOR PREPARING DIARYL SULFONES. | AMOCO CORP (US) | 1988-09-07 | — | — | EP | disclosed |
| WO-1988001617-A1 | IMPROVEMENT FOR PROCESSES FOR PREPARING DIARYL SULFONES | AMOCO CORPORATION (US) | 1988-03-10 | — | — | WO | disclosed |