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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 9/20 | 0.41 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.41 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.40 |
| ▸ | MMP7 known ✓ | P09237 | 4/20 | 0.39 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.54 |
| ▸ | MMP2 | P08253 | 14/20 | 0.41 |
| ▸ | MMP3 | P08254 | 9/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 SCHEMBL9250180 | 1.00 | CSNK1E (0.54) | CSNK1EMMP2MMP1MMP3HTR2A | |
| Water SCHEMBL3690850 | 1.00 | CSNK1E (0.54) | CSNK1EMMP2MMP1MMP3HTR2A | |
| Water SCHEMBL11427418 | 1.00 | CSNK1E (0.54) | CSNK1EMMP2MMP1MMP3HTR2A | |
| Water SCHEMBL8603492 | 1.00 | CSNK1E (0.54) | CSNK1EMMP2MMP1MMP3HTR2A | |
| Water SCHEMBL11424585 | 1.00 | CSNK1E (0.54) | CSNK1EMMP2MMP1MMP3HTR2A | |
| Water SCHEMBL7737072 | 1.00 | CSNK1E (0.54) | CSNK1EMMP2MMP1MMP3HTR2A | |
| Water SCHEMBL11440397 | 1.00 | CSNK1E (0.54) | CSNK1EMMP2MMP1MMP3HTR2A | |
| Hydrochloric Acid SCHEMBL2365630 | 0.98 | CSNK1E (0.52) | CSNK1EMMP2MMP1MMP3HTR2A | |
| Hydrochloric Acid SCHEMBL9495482 | 0.98 | CSNK1E (0.52) | CSNK1EMMP2MMP1MMP3HTR2A | |
| Hydrochloric Acid SCHEMBL8317407 | 0.98 | CSNK1E (0.52) | CSNK1EMMP2MMP1MMP3HTR2A |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4374042-A | QUATERNARY AMMONIUM COMPOUND AND AN ORGANIC IONIC COMPOUND | UOP INC. (US) | 1983-02-15 | — | — | US | claimed |
| US-4308169-A | TREATMENT WITH AQUEOUS SOLUTION OF QUATERNARY AMMONIUM COMPOUND AND LINEAR IONIC COMPOUND | UOP INC. (US) | 1981-12-29 | — | — | US | claimed |
| US-4299729-A | TREATING WITH AN AMMONIACAL SOLUTION OF A METAL CHELATE AND AN AQUEOUS SOLUTION OF A QUATERNARY AMMONIUM COMPOUND | UOP INC. (US) | 1981-11-10 | — | — | US | claimed |
| US-4260479-A | Catalytic oxidation of mercaptan in sour petroleum distillate | UOP INC. (US) | 1981-04-07 | — | — | US | claimed |
| US-4213877-A | Method of reactivating a catalytic composite of an adsorptive carrier material and a mercaptan oxidation catalyst | UOP INC. (US) | 1980-07-22 | — | — | US | claimed |
| US-4206079-A | Catalytic composite particularly useful for the oxidation of mercaptans contained in a sour petroleum distillate | UOP INC. (US) | 1980-06-03 | — | — | US | claimed |
| US-4203827-A | Process for treating sour petroleum distillates | UOP INC. (US) | 1980-05-20 | — | — | US | claimed |
| US-20220274052-A1 | ACIDIC GAS SEPARATION MEMBRANE, ACIDIC GAS SEPARATION DEVICE, METHOD FOR PRODUCING ACIDIC GAS SEPARATION MEMBRANE, AND ACIDIC GAS SEPARATION METHOD | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2022-09-01 | — | — | US | disclosed |
| EP-4023327-A1 | ACIDIC GAS SEPARATION MEMBRANE, ACIDIC GAS SEPARATION DEVICE, METHOD FOR PRODUCING ACIDIC GAS SEPARATION MEMBRANE, AND ACIDIC GAS SEPARATION METHOD | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2022-07-06 | — | — | EP | disclosed |
| CN-114340771-A | Acid gas separation membrane, acid gas separation device, method for producing acid gas separation membrane, and acid gas separation method | 住友化学株式会社 | 2022-04-12 | — | — | CN | disclosed |
| WO-2021039309-A1 | ACIDIC GAS SEPARATION MEMBRANE, ACIDIC GAS SEPARATION DEVICE, METHOD FOR PRODUCING ACIDIC GAS SEPARATION MEMBRANE, AND ACIDIC GAS SEPARATION METHOD | 住友化学株式会社 | 2021-03-04 | — | — | WO | disclosed |
| US-5401390-A | Oxidation of mercaptans to disulfides | UOP (US) | 1995-03-28 | — | — | US | disclosed |
| EP-0499743-B1 | Two step process for sweetening a sour hydrocarbon fraction | UOP INC (US) | 1994-07-20 | — | — | EP | disclosed |
| US-4290917-A | Method of manufacturing a catalytic composite | UOP INC. (US) | 1981-09-22 | — | — | US | disclosed |
| US-4260479-A | Catalytic oxidation of mercaptan in sour petroleum distillate | UOP INC. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4206079-A | Catalytic composite particularly useful for the oxidation of mercaptans contained in a sour petroleum distillate | UOP INC. (US) | 1980-06-03 | — | — | US | disclosed |
| US-3948981-A | PROSTAGLANDIN | THE UPJOHN COMPANY (US) | 1976-04-06 | — | — | US | disclosed |
| US-3933891-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1976-01-20 | — | — | US | disclosed |
| US-3931284-A | 11β-PGE2 compounds | THE UPJOHN COMPANY (US) | 1976-01-06 | — | — | US | disclosed |
| US-3931283-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1976-01-06 | — | — | US | disclosed |