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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.36 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.34 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CASP9 | P55211 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL51552 | 0.98 | MAOA (0.41) | MAOACES1TSHRMAOBBCHE | |
| SCHEMBL11516879 | 0.96 | MAOA (0.40) | MAOACES1TSHRMAOBBCHE | |
| SCHEMBL11690364 | 0.96 | MAOA (0.40) | MAOACES1TSHRMAOBBCHE | |
| SCHEMBL11519242 | 0.96 | MAOA (0.40) | MAOACES1TSHRMAOBBCHE | |
| SCHEMBL11519403 | 0.96 | MAOA (0.40) | MAOACES1TSHRMAOBBCHE | |
| Hydrochloric Acid SCHEMBL8208617 | 0.96 | TSHR (0.44) | MAOACES1TSHRMAOBBCHE | |
| SCHEMBL4386410 | 0.96 | MAOA (0.40) | MAOACES1TSHRMAOBBCHE | |
| Bicarbonate SCHEMBL10507777 | 0.90 | TSHR (0.40) | MAOACES1TSHRMAOBBCHE | |
| Phenyl(Phenylsulfonyl)Amine SCHEMBL3097911 | 0.77 | KEAP1 (0.54) | KMT2ACA12CA9MEN1ALDH1A1 | |
| SCHEMBL61808 | 0.76 | MAOA (0.44) | MAOACES1TSHRMAOBBCHE |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1636028-B1 | CHEMICAL PROTECTIVE ARTICLES OF APPAREL AND ENCLOSURES | GORE ENTERPRISE HOLDINGS INC (US) | 2012-11-07 | — | — | EP | claimed |
| WO-2004029132-A1 | PROTON EXCHANGE MEMBRANE MATERIALS BASED ON SULFONATED POLY(PHTHALAZINONES) | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2004-04-08 | — | — | WO | claimed |
| US-7678863-B2 | Proton exchange membrane materials based on sulfonated poly (phthalazinones) | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2010-03-16 | — | — | US | disclosed |
| US-20060155127-A1 | sulfonating aromatic polyether containing phthlazine ring with a mixture of concentrated and fuming sulfuric acid in preferred ratio to form sulfonated polyphthalazione ethers; casting to form proton exchange membrane; electrolyte fuel cells | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2006-07-13 | — | — | US | disclosed |
| WO-2004029132-A1 | PROTON EXCHANGE MEMBRANE MATERIALS BASED ON SULFONATED POLY(PHTHALAZINONES) | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2004-04-08 | — | — | WO | disclosed |
| WO-2004029132-A1 | PROTON EXCHANGE MEMBRANE MATERIALS BASED ON SULFONATED POLY(PHTHALAZINONES) | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2004-04-08 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060155127-A1 | sulfonating aromatic polyether containing phthlazine ring with a mixture of concentrated and fuming sulfuric acid in preferred ratio to form sulfonated polyphthalazione ethers; casting to form proton exchange membrane; electrolyte fuel cells | PAH, SLC46A1, HCN4 | ACHE 4602/4885PARP1 4053/4885MEN1 2183/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.