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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.63 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.39 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.39 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.39 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | LSS | P48449 | 2/20 | 0.42 |
| ▸ | KDM5A | P29375 | 3/20 | 0.41 |
| ▸ | PHF8 | Q9UPP1 | 3/20 | 0.41 |
| ▸ | KDM2A | Q9Y2K7 | 3/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL9249880 | 1.00 | SIGMAR1 (0.63) | SIGMAR1CYP1A2LSSKDM5APHF8 | |
| Water SCHEMBL9248198 | 1.00 | SIGMAR1 (0.63) | SIGMAR1CYP1A2LSSKDM5APHF8 | |
| Water SCHEMBL9249866 | 1.00 | SIGMAR1 (0.63) | SIGMAR1CYP1A2LSSKDM5APHF8 | |
| Water SCHEMBL9246810 | 1.00 | SIGMAR1 (0.63) | SIGMAR1CYP1A2LSSKDM5APHF8 | |
| Water SCHEMBL9246924 | 1.00 | SIGMAR1 (0.63) | SIGMAR1CYP1A2LSSKDM5APHF8 | |
| SCHEMBL8855135 | 0.98 | SIGMAR1 (0.66) | SIGMAR1CYP1A2LSSKDM5APHF8 | |
| SCHEMBL8711529 | 0.98 | SIGMAR1 (0.66) | SIGMAR1CYP1A2LSSKDM5APHF8 | |
| Hydrochloric Acid SCHEMBL9516659 | 0.96 | SIGMAR1 (0.63) | SIGMAR1CYP1A2LSSKDM5APHF8 | |
| Hydrochloric Acid SCHEMBL9518737 | 0.96 | SIGMAR1 (0.63) | SIGMAR1CYP1A2LSSKDM5APHF8 | |
| Hydrochloric Acid SCHEMBL9516763 | 0.96 | SIGMAR1 (0.63) | SIGMAR1CYP1A2LSSKDM5APHF8 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-5318936-A | Metal chelate dispersed on catalyst support; layered double hydroxide; for oxidizing mercaptans to disulfides | UOP (US) | 1994-06-07 | — | — | US | disclosed |
| US-5286372-A | Catalyst is composed of metal chelate dispersed on basic support which is either a solid solution of metal oxides or a layered double hydroxide | UOP (US) | 1994-02-15 | — | — | US | disclosed |
| US-5273646-A | Adding aqueous ammonium hydroxide, metal chelate and an onium compound to the hydrocarbon fraction containing an oxidizer and base | UOP (US) | 1993-12-28 | — | — | US | disclosed |
| US-5232887-A | Metal chelate diispersed on a metal oxide or layered double hydroxide support | UOP (US) | 1993-08-03 | — | — | US | disclosed |
| US-5204306-A | Oxidizing mercaptans to disulfides with metal chelate catalyst and an onium component | UOP (US) | 1993-04-20 | — | — | US | disclosed |
| US-5180484-A | Oxidation in presence of ammonium hydroxide, metal chelate and onium compound | UOP (US) | 1993-01-19 | — | — | US | disclosed |
| EP-0499743-A1 | Two step process for sweetening a sour hydrocarbon fraction | UOP (US) | 1992-08-26 | — | — | EP | disclosed |
| US-5093296-A | Caustic free liquid/liquid process for sweetening a sour hydrocarbon fraction | UOP (US) | 1992-03-03 | — | — | US | disclosed |
| US-4923596-A | SYNERGISTIC EFFECT WITH METAL CHELATE; PETROLEUM | UOP (US) | 1990-05-08 | — | — | US | disclosed |
| US-4913802-A | OXIDIZING MERCAPTAN TO DISULFIDES USING AMMONIUM HYDROXIDE AND A QUATERNARY AMMONIUM HYDROXIDE WITH CATALYTIC COMPOSITE | UOP (US) | 1990-04-03 | — | — | US | disclosed |
| US-4354926-A | Catalytic composite and process for use | UOP INC. (US) | 1982-10-19 | — | — | US | disclosed |
| US-4337147-A | Catalytic composite and process for use | UOP INC. (US) | 1982-06-29 | — | — | US | disclosed |
| US-4324650-A | SWEETENING SOUR OILS BY CATALYTIC OXIDATION | UOP INC. (US) | 1982-04-13 | — | — | US | disclosed |
| US-4295993-A | METAL CHELATE, QUATERNARY AMMONIUM HYDROXIDE, 1A HYDROXIDE, SWEETENING, OXIDATION | UOP INC. (US) | 1981-10-20 | — | — | US | disclosed |
| US-4290917-A | Method of manufacturing a catalytic composite | UOP INC. (US) | 1981-09-22 | — | — | US | disclosed |
| US-4290913-A | Catalytic composite useful for the treatment of mercaptan-containing sour petroleum distillate | UOP INC. (US) | 1981-09-22 | — | — | US | disclosed |
| US-4290916-A | MOLECULAR SEIVES, QUATERNARY AMMONIUM COMPOUND, CHELATE, ALKALI METAL HYDROXIDE | 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 |