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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | DGKA | P23743 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PAM | P19021 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29031653 | 0.98 | DGKA (0.44) | DGKAFFAR1FFAR4GPR84ALDH1A1 | |
| SCHEMBL28265898 | 0.98 | DGKA (0.44) | DGKAFFAR1FFAR4GPR84ALDH1A1 | |
| SCHEMBL6293225 | 0.97 | DGKA (0.42) | DGKAFFAR1FFAR4GPR84ALDH1A1 | |
| SCHEMBL6152268 | 0.97 | DGKA (0.42) | DGKAFFAR1FFAR4GPR84ALDH1A1 | |
| SCHEMBL28859388 | 0.92 | DGKA (0.50) | DGKAALDH1A1PAMMAPTTSHR | |
| SCHEMBL21143380 | 0.92 | DGKA (0.50) | DGKAALDH1A1PAMMAPTTSHR | |
| SCHEMBL8652099 | 0.92 | DGKA (0.50) | DGKAFFAR1FFAR4GPR84ALDH1A1 | |
| SCHEMBL28982388 | 0.92 | DGKA (0.50) | DGKAALDH1A1PAMMAPTTSHR | |
| SCHEMBL2936017 | 0.90 | DGKA (0.47) | DGKAMAPTTSHRLMNADNM1 | |
| SCHEMBL4209313 | 0.90 | DGKA (0.47) | DGKAFFAR4ALDH1A1PAMMAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11584817-B2 | Orthodontic articles comprising cured free-radically polymerizable composition with improved strength in aqueous environment | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2023-02-21 | — | — | US | disclosed |
| CN-113767131-A | Orthodontic articles, methods, and polymerizable compositions comprising polymeric compositions having pendant ring moieties | 3M创新有限公司 | 2021-12-07 | — | — | CN | disclosed |
| CN-113286560-A | Orthodontic articles and methods of making and post-treating the same | 3M创新有限公司 | 2021-08-20 | — | — | CN | disclosed |
| US-20210238328-A1 | ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT | SOLVENTUM INTELLECTUAL PROPERTIES COMPANY | 2021-08-05 | — | — | US | disclosed |
| CN-113015511-A | Orthodontic articles, methods, and polymerizable compositions comprising polyester urethane (meth) acrylate polymers and monofunctional (meth) acrylate monomers | 3M创新有限公司 | 2021-06-22 | — | — | CN | disclosed |
| CN-112673471-A | Flexible device including conductive traces with enhanced stretchability | 3M创新有限公司 | 2021-04-16 | — | — | CN | disclosed |
| CN-112384188-A | Orthodontic articles made using polycarbonate diols, polymerizable compositions, and methods of making articles | 3M创新有限公司 | 2021-02-19 | — | — | CN | disclosed |
| CN-112367959-A | Orthodontic articles comprising cured free-radically polymerizable compositions having improved strength in aqueous environments | 3M创新有限公司 | 2021-02-12 | — | — | CN | disclosed |
| CN-111615377-A | Orthodontic articles comprising cured free-radically polymerizable compositions containing polymers or macromolecules with photoinitiating groups | 3M创新有限公司 | 2020-09-01 | — | — | CN | disclosed |
| US-20180291141-A1 | THERMOPLASTIC POLYURETHANE ELASTOMER, AND PREPARATION METHOD, USE AND PRODUCT THEREOF | WANHUA CHEMICAL GROUP CO., LTD. (CN) | 2018-10-11 | — | — | 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-20210238328-A1 | ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT | ELL, PCNA, PAM | MEN1 3567/4885DGKA 653/4885FFAR1 24/4885 |
| US-11584817-B2 | Orthodontic articles comprising cured free-radically polymerizable composition with improved strength in aqueous environment | ELL, PCNA, PAM | MEN1 3567/4885DGKA 653/4885FFAR1 24/4885 |
“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.