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 | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.32 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
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 SCHEMBL10833319 | 1.00 | HPGD (0.40) | HPGDEPHX1EPHX2ALDH1A1TSHR | |
| Water SCHEMBL11673314 | 0.97 | HPGD (0.41) | HPGDEPHX1EPHX2ALDH1A1TSHR | |
| SCHEMBL7969703 | 0.97 | HPGD (0.41) | HPGDEPHX1EPHX2ALDH1A1TSHR | |
| SCHEMBL64469 | 0.97 | HPGD (0.41) | HPGDEPHX1EPHX2ALDH1A1TSHR | |
| Water SCHEMBL1436264 | 0.97 | HPGD (0.41) | HPGDEPHX1EPHX2ALDH1A1TSHR | |
| Water SCHEMBL1158114 | 0.94 | HPGD (0.40) | HPGDEPHX1EPHX2ALDH1A1TSHR | |
| SCHEMBL8456563 | 0.94 | HPGD (0.40) | HPGDEPHX1EPHX2ALDH1A1TSHR | |
| SCHEMBL49328 | 0.94 | — | — | |
| SCHEMBL9175 | 0.94 | — | — | |
| SCHEMBL16674608 | 0.94 | — | — |
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 148 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110878013-A | Synthesis method of (trans ) -4-vinyl-4' - [ (E) -1-propenyl ] -bicyclohexane | 西安瑞联新材料股份有限公司 | 2020-03-13 | — | — | CN | claimed |
| EP-1387659-B1 | INITIATOR SYSTEM FOR ACID DENTAL FORMULATIONS | 3M ESPE AG (DE) | 2008-05-07 | — | — | EP | claimed |
| EP-4629958-A1 | SURFACE-TREATED FILLER, DENTAL COMPOSITION CONTAINING SUCH A FILLER, PROCESS OF PRODUCTION AND USE THEREOF | Solventum Intellectual Properties Company (US) | 2025-10-15 | — | — | EP | disclosed |
| WO-2025032536-A1 | 1,3-DIAZA-4-OXA-[3.3.1]-BICYCLIC DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES, PARTICULARLY FOR THE TREATMENT OF OBESITY, DIABETES AND/OR NEURODEGENERATIVE DISEASES | UNIVERSITÀ DI PISA (IT) | 2025-02-13 | — | — | WO | disclosed |
| US-20240358603-A1 | One-Part Dental Adhesive Composition for Fixing Dental Composite Materials | SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) | 2024-10-31 | — | — | US | disclosed |
| US-12070514-B2 | One-part dental adhesive composition for fixing dental composite materials | SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) | 2024-08-27 | — | — | US | disclosed |
| EP-2598101-B2 | KIT OF PARTS, METHOD OF PRODUCING AND USE THEREOF | SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) | 2024-08-14 | — | — | EP | disclosed |
| US-20240245585-A1 | Dental Cement Composition, Kit of Parts and Use Thereof | SOLVENTUM INTELLECTUAL PROPERTIES COMPANY | 2024-07-25 | — | — | US | disclosed |
| WO-2024121658-A1 | SURFACE-TREATED FILLER, DENTAL COMPOSITION CONTAINING SUCH A FILLER, PROCESS OF PRODUCTION AND USE THEREOF | SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) | 2024-06-13 | — | — | WO | disclosed |
| EP-4001888-B1 | BIOLOGICAL TISSUE STAINING REAGENT, BIOLOGICAL TISSUE STAINING KIT AND BIOLOGICAL TISSUE STAINING METHOD | CUBICSTARS INC (JP) | 2023-10-04 | — | — | EP | disclosed |
| EP-4035649-B1 | DENTAL ADHESIVE COMPOSITION | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2023-07-26 | — | — | EP | disclosed |
| US-4999363-A | Inhibit biosynthesis of thromboxane A2 | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-03-12 | — | — | US | disclosed |
| EP-0194348-B1 | SULFINATE-INITIATED ADDITION OF PERFLUORINATED IODIDES TO OLEFINS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-01-24 | — | — | EP | disclosed |
| EP-0345747-A2 | Tricyclic compounds | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1989-12-13 | — | — | EP | disclosed |
| US-4705737-A | Heat developable photographic materials | FUJI PHOTO FILM CO., LTD. (JP) | 1987-11-10 | — | — | US | disclosed |
| EP-0120403-B1 | HEAT DEVELOPABLE COLOR PHOTOGRAPHIC MATERIALS | FUJI PHOTO FILM CO., LTD. (JP) | 1987-06-10 | — | — | EP | disclosed |
| US-4650913-A | FLUOROALKYLATION, IODINATION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-03-17 | — | — | US | disclosed |
| EP-0194348-A2 | Sulfinate-initiated addition of perfluorinated iodides to olefins | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1986-09-17 | — | — | EP | disclosed |
| EP-0120403-A2 | Heat developable color photographic materials | FUJI PHOTO FILM CO., LTD. (JP) | 1984-10-03 | — | — | EP | disclosed |
| US-4102312-A | Thermally developable light-sensitive materials | TOYOTA JIDOSHA KOGYO KABUSHIKI KAISHA (JP) | 1978-07-25 | — | — | 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 (3 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-20240358603-A1 | One-Part Dental Adhesive Composition for Fixing Dental Composite Materials | CDH1, F12, ACTN1 | HDAC3 2273/4885HDAC4 2373/4885HDAC1 435/4885 |
| US-20240245585-A1 | Dental Cement Composition, Kit of Parts and Use Thereof | CAD, KATNAL2, ASH2L | HDAC3 2195/4885HDAC4 3307/4885HDAC1 2013/4885 |
| US-12070514-B2 | One-part dental adhesive composition for fixing dental composite materials | CDH1, F12, ACTN1 | HDAC3 2273/4885HDAC4 2373/4885HDAC1 435/4885 |
“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.