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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 SCHEMBL29088662 | 1.00 | TSHR (0.32) | TSHRPIK3CDALDH1A1CA2KDM4E | |
| Water SCHEMBL127130 | 1.00 | — | — | |
| Water SCHEMBL29768404 | 0.95 | — | — | |
| Water SCHEMBL28146732 | 0.95 | — | — | |
| Water SCHEMBL28326074 | 0.95 | — | — | |
| SCHEMBL251442 | 0.94 | ALDH1A1 (0.33) | TSHRPIK3CDALDH1A1CA2KDM4E | |
| Methyl Alcohol SCHEMBL2405349 | 0.91 | — | — | |
| SCHEMBL15674477 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL7542079 | 0.89 | TSHR (0.32) | TSHRPIK3CDALDH1A1CA2KDM4E | |
| SCHEMBL15821191 | 0.89 | — | — |
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 677 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117946149-A | Beta-alkyl substituted silane compound, preparation method and application thereof | 武汉大学 | 2024-04-30 | — | — | CN | claimed |
| CN-114456134-B | Alpha-fluoroalkyl substituted cyclopropyl alcohol compound, and preparation method and application thereof | 武汉大学 | 2024-04-26 | — | — | CN | claimed |
| US-11945831-B2 | Adducts of triphenylphosphine and triphenylphosphite and their use for the bromination of primary alcohols | MELCHIOR MATERIAL AND LIFE SCIENCE FRANCE (FR) | 2024-04-02 | — | — | US | claimed |
| CN-113383000-B | Adducts of triphenylphosphine and triphenyl phosphite and their use in bromination of primary alcohols | 法国梅尔基奥材料与生命科学公司 | 2024-03-26 | — | — | CN | claimed |
| EP-3867257-B1 | ADDUCTS OF TRIPHENYLPHOSPHINE AND TRIPHENYLPHOSPHITE AND THEIR USE FOR THE BROMINATION OF PRIMARY ALCOHOLS | MELCHIOR MATERIAL & LIFE SCIENCE FRANCE (FR) | 2023-10-18 | — | — | EP | claimed |
| EP-4148030-A1 | FABRICATION OF BENZOXAZINE FUNCTIONALIZED PARTICLES | Palo Alto Research Center Incorporated (US) | 2023-03-15 | — | — | EP | claimed |
| US-20230069939-A1 | FABRICATION OF BENZOXAZINE FUNCTIONALIZED PARTICLES | U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT | 2023-03-09 | — | — | US | claimed |
| CN-114388746-A | Lithium metal negative electrode, lithium metal battery, preparation method of lithium metal negative electrode and lithium metal battery and method for inhibiting lithium dendrite | 安徽盟维新能源科技有限公司 | 2022-04-22 | — | — | CN | claimed |
| CN-114230742-A | Low-free TDI polyurethane prepolymer and preparation method thereof | 广东粤港澳大湾区黄埔材料研究院 | 2022-03-25 | — | — | CN | claimed |
| US-20210371438-A1 | ADDUCTS OF TRIPHENYLPHOSPHINE AND TRIPHENYLPHOSPHITE AND THEIR USE FOR THE BROMINATION OF PRIMARY ALCOHOLS | MELCHIOR MATERIAL AND LIFE SCIENCE FRANCE (FR) | 2021-12-02 | — | — | US | claimed |
| CN-1490370-A | Synthesis of photocured high refractive thiovinyl polyurethane coating material and preparation of transparent laser hologram antifakery material | 武汉化工学院 | 2004-04-21 | — | — | CN | claimed |
| EP-1055262-B1 | ELECTROCHEMICAL CELL COMPRISING A LIQUID ORGANIC ELECTROLYTE WITH A CONDUCTIVE ADDITIVE | QINETIQ LTD (GB) | 2002-03-20 | — | — | EP | claimed |
| EP-1055262-A1 | ELECTROCHEMICAL CELL COMPRISING A LIQUID ORGANIC ELECTROLYTE WITH A CONDUCTIVE ADDITIVE | THE SECRETARY OF STATE FOR DEFENCE (GB) | 2000-11-29 | — | — | EP | claimed |
| US-5958820-A | Gas-phase polymerisation of conjugated dienes in the presence of rare earth allyl compounds | BAYER AG (DE) | 1999-09-28 | — | — | US | claimed |
| WO-1999030379-A1 | ELECTROCHEMICAL CELL COMPRISING A LIQUID ORGANIC ELECTROLYTE WITH A CONDUCTIVE ADDITIVE | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1999-06-17 | — | — | WO | claimed |
| EP-0187768-B1 | LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS | FERGASON JAMES L (US) | 1993-11-03 | — | — | EP | claimed |
| US-4884877-A | Liquid crystal temperature sensor and materials utilizing microencapsulated liquid crystal | MANCHESTER R & D PARTNERSHIP (US) | 1989-12-05 | — | — | US | claimed |
| EP-0187768-A4 | LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS. | FERGASON JAMES L | 1989-03-09 | — | — | EP | claimed |
| EP-0187768-A1 | LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS. | FERGASON JAMES L | 1986-07-23 | — | — | EP | claimed |
| WO-1985005467-A1 | LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS | FERGASON JAMES L | 1985-12-05 | — | — | WO | claimed |
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-20210371438-A1 | ADDUCTS OF TRIPHENYLPHOSPHINE AND TRIPHENYLPHOSPHITE AND THEIR USE FOR THE BROMINATION OF PRIMARY ALCOHOLS | TPO, ADH1A, SELENOI | PIK3CD 2839/4885TSHR 281/4885ALDH1A1 21/4885 |
| US-11945831-B2 | Adducts of triphenylphosphine and triphenylphosphite and their use for the bromination of primary alcohols | TPO, ADH1A, SELENOI | PIK3CD 2839/4885TSHR 281/4885ALDH1A1 21/4885 |
“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.