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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.35 |
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.33 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL27850388 | 0.97 | TSHR (0.35) | TSHRLMNATHRBFDPSESR1 | |
| Ammonia Solution, Strong SCHEMBL27583908 | 0.97 | TSHR (0.35) | TSHRLMNATHRBFDPSESR1 | |
| SCHEMBL93520 | 0.97 | TSHR (0.40) | TSHRLMNATHRBFDPSESR1 | |
| Hydrochloric Acid SCHEMBL967604 | 0.93 | TSHR (0.38) | TSHRLMNATHRBFDPSESR1 | |
| Phosphine SCHEMBL27289379 | 0.93 | TSHR (0.38) | TSHRLMNATHRBFDPSESR1 | |
| Bromide SCHEMBL3390282 | 0.93 | TSHR (0.38) | TSHRLMNATHRBFDPSESR1 | |
| Ammonia Solution, Strong SCHEMBL27282069 | 0.93 | TSHR (0.38) | TSHRLMNATHRBFDPSESR1 | |
| SCHEMBL30656569 | 0.93 | TSHR (0.38) | TSHRLMNATHRBFDPSESR1 | |
| Iodide SCHEMBL553390 | 0.93 | TSHR (0.38) | TSHRLMNATHRBFDPSESR1 | |
| Hydrogen Sulfide SCHEMBL28061234 | 0.93 | TSHR (0.38) | TSHRLMNATHRBFDPSESR1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103965788-B | A kind of alkalescence polishing liquid and polishing method | 安集微电子（上海）有限公司 | 2017-10-13 | — | — | CN | claimed |
| US-11085011-B2 | Post CMP cleaning compositions for ceria particles | ENTEGRIS, INC. (US) | 2021-08-10 | — | — | US | disclosed |
| CN-112771144-A | POST chemical mechanical polishing (POST CMP) cleaning composition for cerium particles | 恩特格里斯公司 | 2021-05-07 | — | — | CN | disclosed |
| EP-3638028-A1 | AUXIN HERBICIDAL MIXTURES | Monsanto Technology LLC (US) | 2020-04-22 | — | — | EP | disclosed |
| WO-2020046539-A1 | POST CMP CLEANING COMPOSITIONS FOR CERIA PARTICLES | ENTEGRIS, INC. (US) | 2020-03-05 | — | — | WO | disclosed |
| US-20200071642-A1 | POST CMP CLEANING COMPOSITIONS FOR CERIA PARTICLES | MORGAN STANLEY SENIOR FUNDING, INC., AS COLLATERAL AGENT | 2020-03-05 | — | — | US | disclosed |
| US-20190014776-A1 | AUXIN HERBICIDAL MIXTURES | MONSANTO TECHNOLOGY LLC (US) | 2019-01-17 | — | — | US | disclosed |
| WO-2018231891-A1 | AUXIN HERBICIDAL MIXTURES | MONSANTO TECHNOLOGY LLC (US) | 2018-12-20 | — | — | WO | disclosed |
| EP-2294042-B1 | PROCESS FOR THE PREPARATION OF ALKYLENE GLYCOL | SHELL INT RESEARCH (NL) | 2018-08-08 | — | — | EP | disclosed |
| US-8110712-B2 | Process for the preparation of alkylene glycol | SHELL OIL COMPANY (US) | 2012-02-07 | — | — | US | disclosed |
| EP-2294042-A1 | PROCESS FOR THE PREPARATION OF ALKYLENE GLYCOL | Shell Internationale Research Maatschappij B.V. (NL) | 2011-03-16 | — | — | EP | disclosed |
| US-20090259077-A1 | PROCESS FOR THE PREPARATION OF ALKYLENE GLYCOL | SHELL USA, INC. | 2009-10-15 | — | — | US | disclosed |
| WO-2009124988-A1 | PROCESS FOR THE PREPARATION OF ALKYLENE GLYCOL | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2009-10-15 | — | — | WO | disclosed |
| US-4405766-A | Phosphonium bicarbonate catalysts for promoting reaction of epoxides with carboxylic acids or anhydrides | THE DOW CHEMICAL COMPANY (US) | 1983-09-20 | — | — | US | disclosed |
| US-4354015-A | HIGH MOLECULAR WEIGHT LINEAR EPOXY RESINS | THE DOW CHEMICAL COMPANY (US) | 1982-10-12 | — | — | US | disclosed |
| US-4284573-A | Preparation of glycidyl ethers | THE DOW CHEMICAL COMPANY (US) | 1981-08-18 | — | — | US | disclosed |
| US-4209445-A | FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF QUATERNARY AMMONIUM OR PHOSPHONIUM HYDROXIDE OR CROWN ETHER METAL COMPLEX | HAARMAN & REIMER GMBH (DE) | 1980-06-24 | — | — | 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-20090259077-A1 | PROCESS FOR THE PREPARATION OF ALKYLENE GLYCOL | AGL, AGPS, MGAM | THRB 4564/4885FDPS 2004/4885ESR1 1998/4885 |
| US-20190014776-A1 | AUXIN HERBICIDAL MIXTURES | DDT, AS3MT, ATL3 | THRB 1804/4885FDPS 2478/4885ESR1 1487/4885 |
“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.