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 | 0.59 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.48 |
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.48 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.48 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.48 |
| ▸ | DHFR known ✓ | P00374 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | MPO | P05164 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 4/20 | 0.56 |
| ▸ | CA9 | Q16790 | 4/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA12 | O43570 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.56 |
| ▸ | AGO2 | Q9UKV8 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
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 SCHEMBL4384703 | 1.00 | TSHR (0.59) | TSHRLMNAHTR6MPOCYP3A4 | |
| SCHEMBL28999750 | 0.97 | TSHR (0.62) | TSHRLMNAHTR6MPOCYP3A4 | |
| SCHEMBL646075 | 0.97 | TSHR (0.62) | TSHRLMNAHTR6MPOCYP3A4 | |
| SCHEMBL7766922 | 0.97 | TSHR (0.62) | TSHRLMNAHTR6MPOCYP3A4 | |
| Water SCHEMBL4230663 | 0.95 | TSHR (0.59) | TSHRLMNAHTR6MPOCYP3A4 | |
| Potassium Ion SCHEMBL28275691 | 0.95 | TSHR (0.59) | TSHRLMNAHTR6MPOCYP3A4 | |
| SCHEMBL30460591 | 0.95 | TSHR (0.59) | TSHRLMNAHTR6MPOCYP3A4 | |
| Formaldehyde SCHEMBL9472914 | 0.92 | TSHR (0.56) | TSHRLMNAHTR6MPOCYP3A4 | |
| SCHEMBL11316984 | 0.92 | TSHR (0.62) | TSHRLMNAHTR6MPOCYP3A4 | |
| SCHEMBL31212650 | 0.92 | TSHR (0.62) | TSHRLMNAHTR6MPOCYP3A4 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107759756-B | Sulfamate water reducer and preparation method thereof | 江苏苏博特新材料股份有限公司 | 2020-08-11 | — | — | CN | disclosed |
| CN-107601947-B | Anti-clay sulfamate water reducing agent and preparation method thereof | 江苏苏博特新材料股份有限公司 | 2020-05-26 | — | — | CN | disclosed |
| US-9029492-B2 | Superconducting electrolytic hybrid material, and preparation method and uses thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2015-05-12 | — | — | US | disclosed |
| US-8357817-B2 | Sulfone hybrid precursor, method of synthesizing same, and uses thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2013-01-22 | — | — | US | disclosed |
| US-20110190526-A1 | SULFONE HYBRID PRECURSOR, METHOD OF SYNTHESIZING SAME, AND USES THEREOF | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2011-08-04 | — | — | US | disclosed |
| US-20110159406-A1 | SUPERCONDUCTING ELECTROLYTIC HYBRID MATERIAL, AND PREPARATION METHOD AND USES THEREOF | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2011-06-30 | — | — | US | disclosed |
| US-7199147-B2 | Rho kinase inhibitors | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2007-04-03 | — | — | US | disclosed |
| EP-1624003-A1 | Process for producing cured coating film using a water soluble triazine crosslinking accelerator | Nisshinbo Industries, Inc. (JP) | 2006-02-08 | — | — | EP | disclosed |
| US-20060025502-A1 | Process for producing cured coating film | NISSHINBO INDUSTRIES, INC. (JP) | 2006-02-02 | — | — | US | disclosed |
| US-20040138286-A1 | Rho kinase inhibitors | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2004-07-15 | — | — | US | disclosed |
| EP-1403255-A1 | Rho KINASE INHIBITORS | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2004-03-31 | — | — | EP | disclosed |
| US-3951923-A | Preparation of amino-benzenesulfonate-modified polyamides | PHILLIPS PETROLEUM COMPANY (US) | 1976-04-20 | — | — | US | 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 (2 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-20110190526-A1 | SULFONE HYBRID PRECURSOR, METHOD OF SYNTHESIZING SAME, AND USES THEREOF | STOM, NSF, SDCBP | HTR6 3774/4885MEN1 1698/4885MMP1 4456/4885 |
| US-20040138286-A1 | Rho kinase inhibitors | ROCK1, ROCK2, ARHGDIA | HTR6 4231/4885MEN1 2593/4885MMP1 1179/4885 |
“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.