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 | |
|---|---|---|---|---|
| ▸ | HTR6 known ✓ | P50406 | 2/20 | 0.50 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | CA2 | P00918 | 6/20 | 0.59 |
| ▸ | CA12 | O43570 | 3/20 | 0.59 |
| ▸ | CA9 | Q16790 | 3/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.59 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.54 |
| ▸ | ELANE | P08246 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MPO | P05164 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL124022 | 0.97 | GAA (0.67) | GAAPKMLMNACA2CA12 | |
| SCHEMBL3792342 | 0.97 | GAA (0.67) | GAAPKMLMNACA2CA12 | |
| SCHEMBL29724901 | 0.97 | GAA (0.67) | GAAPKMLMNACA2CA12 | |
| SCHEMBL18838 | 0.97 | GAA (0.67) | GAAPKMLMNACA2CA12 | |
| Hydrochloric Acid SCHEMBL10624752 | 0.94 | GAA (0.64) | GAAPKMLMNACA2CA12 | |
| Hydrochloric Acid SCHEMBL10624747 | 0.94 | GAA (0.64) | GAAPKMLMNACA2CA12 | |
| SCHEMBL7938040 | 0.94 | GAA (0.64) | GAAPKMLMNACA2CA12 | |
| Potassium SCHEMBL11745543 | 0.94 | GAA (0.64) | GAAPKMLMNACA2CA12 | |
| SCHEMBL11699158 | 0.94 | GAA (0.64) | GAAPKMLMNACA2CA12 | |
| Ammonia Solution, Strong SCHEMBL29108104 | 0.94 | GAA (0.64) | GAAPKMLMNACA2CA12 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-10158235-A | — | — | None | — | — | JP | disclosed |
| CN-100383117-C | Processes for the preparation of diphenylsulfone compounds | NIPPON SODA CO (JP) | 2008-04-23 | — | — | CN | disclosed |
| CN-1318399-C | Processes for the preparation of diphenylsulfone compounds | NIPPON SODA CO (JP) | 2007-05-30 | — | — | CN | disclosed |
| CN-1911909-A | Processes for the preparation of diphenylsulfone compounds | NIPPON SODA CO (JP) | 2007-02-14 | — | — | CN | disclosed |
| CN-1911908-A | Processes for the preparation of diphenylsulfone compounds | NIPPON SODA CO (JP) | 2007-02-14 | — | — | CN | disclosed |
| CN-1740148-A | Processes for the preparation of diphenylsulfone compounds | NIPPON SODA CO (JP) | 2006-03-01 | — | — | CN | disclosed |
| CN-1740149-A | Processes for the preparation of diphenylsulfone compounds | NIPPON SODA CO (JP) | 2006-03-01 | — | — | CN | disclosed |
| EP-1273570-A4 | PROCESS FOR PRODUCING DIPHENYL SULFONE COMPOUND | NIPPON SODA CO (JP) | 2005-12-21 | — | — | EP | disclosed |
| WO-2002057221-A1 | PROCESS FOR PRODUCING DIPHENYL SULFONE COMPOUND | NIPPON SODA CO.,LTD. (JP) | 2002-07-25 | — | — | WO | disclosed |
| JP-H10158235-A | PURIFICATION OF 4,4'-DIHYDROXYDIPHENYL SULFONE MONOETHER DERIVATIVE | KONISHI KAGAKU KOGYO KK | 1998-06-16 | — | — | JP | disclosed |