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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.30 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.30 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.30 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL56683 | 0.99 | KDM4E (0.33) | KDM4EALDH1A1TDP1GABRA1GABRB2 | |
| SCHEMBL5360957 | 0.98 | GABRA1 (0.33) | KDM4EALDH1A1TDP1GABRA1GABRB2 | |
| Hydrochloric Acid SCHEMBL6662799 | 0.90 | KDM4E (0.36) | KDM4EALDH1A1TDP1GABRA1GABRB2 | |
| SCHEMBL25349713 | 0.89 | GABRA1 (0.35) | KDM4EALDH1A1TDP1GABRA1GABRB2 | |
| Hydrochloric Acid SCHEMBL8958601 | 0.89 | KDM4E (0.37) | KDM4EALDH1A1TDP1GABRA1GABRB2 | |
| SCHEMBL1013749 | 0.88 | GABRA1 (0.36) | KDM4EALDH1A1TDP1GABRA1GABRB2 | |
| Hydrochloric Acid SCHEMBL1843352 | 0.81 | ACHE (0.32) | GABRA1GABRB2 | |
| Hydrochloric Acid SCHEMBL11142161 | 0.79 | GABRA1 (0.32) | ALDH1A1GABRA1GABRB2 | |
| Hydrochloric Acid SCHEMBL11238931 | 0.77 | KDM4E (0.31) | KDM4EALDH1A1TDP1GABRA1GABRB2 | |
| Hydrochloric Acid SCHEMBL252557 | 0.76 | MEN1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3765024-A1 | NOVEL PHARMACEUTICAL FORMULATION COMPRISING DUAL NK-1/NK-3 RECEPTOR ANTAGONISTS | KaNDy Therapeutics Limited (GB) | 2021-01-20 | — | — | EP | disclosed |
| WO-2019175253-A1 | NOVEL PHARMACEUTICAL FORMULATION COMPRISING DUAL NK-1/NK-3 RECEPTOR ANTAGONISTS | KaNDy Therapeutics Limited (GB) | 2019-09-19 | — | — | WO | disclosed |
| US-5380456-A | Aromatic aminosulfonic acid, liquid bleach | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1995-01-10 | — | — | US | disclosed |
| EP-0466902-A4 | STABILIZATION OF AQUEOUS PEROXYGEN SOLUTIONS | — | 1992-05-20 | — | — | EP | disclosed |
| EP-0466902-A1 | STABILIZATION OF AQUEOUS SOLUTIONS CONTAINING SODIUM PERBORATE OR SODIUM PERCARBONATE | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1992-01-22 | — | — | EP | disclosed |
| WO-1991011388-A1 | STABILIZATION OF AQUEOUS PEROXYGEN SOLUTIONS | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1991-08-08 | — | — | WO | disclosed |
| EP-0135298-B1 | A METHOD FOR CONCENTRATING AND SEPARATING WATER SOLUBLE POLYMERIC MATERIAL CONTAINING CARBOXYLIC ACID MERS FROM AN AQUEOUS SYSTEM CONTAINING THE POLYMERIC MATERIAL AND OTHER SOLUBLE IONIC MATERIAL AND A KIT OF PARTS FOR CARRYING OUT SUCH METHOD | ROHM AND HAAS COMPANY (US) | 1990-02-07 | — | — | EP | disclosed |
| US-4514504-A | SELECTIVE ABSORPTION AND CONCENTRATION | ROHM AND HAAS COMPANY (US) | 1985-04-30 | — | — | US | disclosed |
| EP-0135298-A2 | A method for concentrating and separating water soluble polymeric material containing carboxylic acid mers from an aqueous system containing the polymeric material and other soluble ionic material and a kit of parts for carrying out such method | ROHM AND HAAS COMPANY (US) | 1985-03-27 | — | — | EP | disclosed |
| US-4364515-A | Non-pressurized dispensing system and composition | AE DEVELOPMENT CORPORATION (US) | 1982-12-21 | — | — | US | disclosed |