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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 10/20 | 0.92 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | QPCT | Q16769 | 1/20 | 0.54 |
| ▸ | PRKCI | P41743 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
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 SCHEMBL11168594 | 0.98 | TBXAS1 (0.96) | TBXAS1KDM4ELMNAQPCTPRKCI | |
| Water SCHEMBL10352907 | 0.98 | TBXAS1 (0.96) | TBXAS1KDM4ELMNAQPCTPRKCI | |
| SCHEMBL9422 | 0.98 | TBXAS1 (0.96) | TBXAS1KDM4ELMNAQPCTPRKCI | |
| SCHEMBL304926 | 0.96 | TBXAS1 (1.00) | TBXAS1KDM4ELMNAQPCTPRKCI | |
| SCHEMBL4067377 | 0.96 | TBXAS1 (1.00) | TBXAS1KDM4ELMNAQPCTPRKCI | |
| SCHEMBL413378 | 0.96 | TBXAS1 (1.00) | TBXAS1KDM4ELMNAQPCTPRKCI | |
| Hydrochloric Acid SCHEMBL204293 | 0.96 | TBXAS1 (0.92) | TBXAS1KDM4ELMNAQPCTPRKCI | |
| Iodide SCHEMBL1193341 | 0.96 | TBXAS1 (0.92) | TBXAS1KDM4ELMNAQPCTPRKCI | |
| SCHEMBL4062530 | 0.96 | TBXAS1 (1.00) | TBXAS1KDM4ELMNAQPCTPRKCI | |
| SCHEMBL284539 | 0.96 | TBXAS1 (1.00) | TBXAS1KDM4ELMNAQPCTPRKCI |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118894539-B | LTA structure hollow aluminum phosphate molecular sieve and preparation method and application thereof | 聊城大学 | 2025-03-21 | — | — | CN | claimed |
| CN-118894539-A | LTA structure hollow aluminum phosphate molecular sieve and preparation method and application thereof | 聊城大学 | 2024-11-05 | — | — | CN | claimed |
| CN-118002197-A | Palladium catalyst and preparation method and application thereof | 山东新和成药业有限公司 | 2024-05-10 | — | — | CN | claimed |
| CN-118894539-B | LTA structure hollow aluminum phosphate molecular sieve and preparation method and application thereof | 聊城大学 | 2025-03-21 | — | — | CN | disclosed |
| CN-118894539-A | LTA structure hollow aluminum phosphate molecular sieve and preparation method and application thereof | 聊城大学 | 2024-11-05 | — | — | CN | disclosed |
| CN-118002197-B | Palladium catalyst and preparation method and application thereof | 山东新和成药业有限公司 | 2024-07-02 | — | — | CN | disclosed |
| CN-118002197-A | Palladium catalyst and preparation method and application thereof | 山东新和成药业有限公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-109860392-A | A kind of organic solar batteries and preparation method thereof using functionalization graphene quantum dot as electron transfer layer | 桂林电子科技大学 | 2019-06-07 | — | — | CN | disclosed |
| CN-105633284-B | Make trans- organic solar batteries and the preparation of middle layer using Ionic Liquid Films | 中国科学院大连化学物理研究所 | 2018-07-20 | — | — | CN | disclosed |
| CN-102766170-B | Novel method for synthesizing 2-benzenesulfonyl-1-ferrocenyl ethanone | UNIV INNER MONGOLIA TECHNOLOGY | 2015-04-08 | — | — | CN | disclosed |
| CN-102766077-B | Novel method for preparing 1-phenyl-2-benzene sulfonyl acetophenone | UNIV INNER MONGOLIA TECHNOLOGY | 2014-07-09 | — | — | CN | disclosed |
| US-8158737-B2 | Method for production of polyfunctional compound | NITTO DENKO CORPORATION (JP) | 2012-04-17 | — | — | US | disclosed |
| US-8158736-B2 | Method for production of polyfunctional compound | NITTO DENKO CORPORATION (JP) | 2012-04-17 | — | — | US | disclosed |
| CN-102351709-A | Preparation method for synthesis of dibutyl carbonate under catalysis of alkaline ion liquid | SHANGHAI INST TECHNOLOGY | 2012-02-15 | — | — | CN | disclosed |
| US-20110098454-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | NITTO DENKO CORPORATION (JP) | 2011-04-28 | — | — | US | disclosed |
| US-20110046358-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | NITTO DENKO CORPORATION (JP) | 2011-02-24 | — | — | US | disclosed |
| US-7884167-B2 | conducting a Michael addition of a compound (A) having a hydrogen atom of pKa less than or equal to 15 to a (meth)acrylate or a (meth)acrylamide (B), in which at least one of the compounds (A) and (B) has a photoisomerization group; optical recording material, optical waveguide material | NITTO DENKO CORPORATION (JP) | 2011-02-08 | — | — | US | disclosed |
| US-20100076216-A1 | LIQUID CRYSTAL COMPOUND, OPTICAL ELEMENT, POLARIZING PLATE, IMAGE DISPLAY APPARATUS, AND OPTICAL RECORDING MATERIAL | NITTO DENKO CORPORATION (JP) | 2010-03-25 | — | — | US | disclosed |
| US-20090209741-A1 | POLYFUNCTIONAL COMPOUND, OPTICAL RECORDING MATERIAL, OPTICAL RECORDING MEDIUM, OPTICAL RECORDING/REPRODUCING APPARATUS, OPTICAL WAVEGUIDE MATERIAL, AND PHOTO-ALIGNMENT FILM MATERIAL | NITTO DENKO CORPORATION (JP) | 2009-08-20 | — | — | US | disclosed |
| US-20090182107-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | NITTO DENKO CORPORATION (JP) | 2009-07-16 | — | — | 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 (4 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-20110046358-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | ADCY10, ADCY5, ADCY1 | TBXAS1 830/4885KDM4E 2070/4885LMNA 1822/4885 |
| US-20090209741-A1 | POLYFUNCTIONAL COMPOUND, OPTICAL RECORDING MATERIAL, OPTICAL RECORDING MEDIUM, OPTICAL RECORDING/REPRODUCING APPARATUS, OPTICAL WAVEGUIDE MATERIAL, AND PHOTO-ALIGNMENT FILM MATERIAL | CRY1, HAX1, F12 | TBXAS1 3009/4885KDM4E 3505/4885LMNA 431/4885 |
| US-20110098454-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | ADCY10, ADCY5, ADCY1 | TBXAS1 986/4885KDM4E 1769/4885LMNA 1712/4885 |
| US-20100076216-A1 | LIQUID CRYSTAL COMPOUND, OPTICAL ELEMENT, POLARIZING PLATE, IMAGE DISPLAY APPARATUS, AND OPTICAL RECORDING MATERIAL | RCC1, NCAPD2, OCIAD1 | TBXAS1 3254/4885KDM4E 4309/4885LMNA 1783/4885 |
“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.