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 | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.54 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.54 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.54 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.48 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.45 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.45 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 4/20 | 0.54 |
| ▸ | CA2 | P00918 | 4/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | CA3 | P07451 | 3/20 | 0.54 |
| ▸ | CA4 | P22748 | 3/20 | 0.54 |
| ▸ | CA6 | P23280 | 3/20 | 0.54 |
| ▸ | CA5A | P35218 | 3/20 | 0.54 |
| ▸ | CA7 | P43166 | 3/20 | 0.54 |
| ▸ | CA9 | Q16790 | 3/20 | 0.54 |
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 SCHEMBL11037456 | 1.00 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL8477054 | 0.97 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL26836 | 0.97 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL8746207 | 0.97 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL125764 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL6568407 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| Ammonia Solution, Strong SCHEMBL11740925 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL8720147 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL6908111 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 | |
| SCHEMBL6913648 | 0.95 | ALDH1A1 (0.59) | ALDH1A1CYP3A4MAPK1LMNACA1 |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0592875-A1 | Process for producing dichlorodiphenylsulfone | UBE INDUSTRIES, LTD. (JP) | 1994-04-20 | — | — | EP | claimed |
| JP-6172298-A | — | — | None | — | — | JP | disclosed |
| US-20240058452-A1 | PHARMACEUTICAL COMPOSITION CONTAINING TEMPERATURE-RESPONSIVE IONIC LIQUID | TORAY INDUSTRIES, INC. (JP) | 2024-02-22 | — | — | US | disclosed |
| CN-117050013-A | Mono (acid) salts of 6-aminoisoquinolines and use thereof | 爱瑞制药公司 | 2023-11-14 | — | — | CN | disclosed |
| CN-111936139-B | Mono (acid) salts of 6-aminoisoquinolines and use thereof | 爱瑞制药公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-114502142-B | Pharmaceutical composition comprising temperature responsive ionic liquid | 东丽株式会社 | 2023-05-09 | — | — | CN | disclosed |
| EP-4043007-A1 | PHARMACEUTICAL COMPOSITION INCLUDING TEMPERATURE-RESPONSIVE IONIC LIQUID | Toray Industries, Inc. (JP) | 2022-08-17 | — | — | EP | disclosed |
| CN-114502142-A | Pharmaceutical compositions comprising temperature-responsive ionic liquids | 东丽株式会社 | 2022-05-13 | — | — | CN | disclosed |
| US-20220144778-A1 | MONO-(ACID) SALTS OF 6-AMINOISOQUINOLINES AND USES THEREOF | ALCON INC. (CH) | 2022-05-12 | — | — | US | disclosed |
| WO-2021070893-A1 | PHARMACEUTICAL COMPOSITION INCLUDING TEMPERATURE-RESPONSIVE IONIC LIQUID | 東レ株式会社 | 2021-04-15 | — | — | WO | disclosed |
| US-20100092885-A1 | IMAGE FORMING MATERIAL | FUJI XEROX CO., LTD. (JP) | 2010-04-15 | — | — | US | disclosed |
| CN-101685252-A | Image forming material | FUJI XEROX CO LTD | 2010-03-31 | — | — | CN | disclosed |
| US-20100071592-A1 | IMAGE-FORMING MATERIAL | FUJI XEROX CO., LTD. (JP) | 2010-03-25 | — | — | US | disclosed |
| US-20090227793-A1 | IMAGE-FORMING MATERIAL | FUJI XEROX CO., LTD. (JP) | 2009-09-10 | — | — | US | disclosed |
| CN-101526764-A | Image forming material | FUJI XEROX CO LTD | 2009-09-09 | — | — | CN | disclosed |
| US-6353074-B1 | HYDROLYTIC CONDENSATION OF TRICHLOROSILANE IN TWO-PHASE SYSTEM CONSISTING OF AQUEOUS PHASE AND ORGANIC PHASE | DOW CORNING CORPORATION | 2002-03-05 | — | — | US | disclosed |
| EP-1002823-A1 | Method for manufacturing hydrogen-silsesquioxane resin | Dow Corning Asia, Ltd. (JP) | 2000-05-24 | — | — | EP | disclosed |
| JP-H06172298-A | PRODUCTION OF DICHLRODIPHENYLSULFONE | UBE IND LTD | 1994-06-21 | — | — | JP | disclosed |
| EP-0592875-A1 | Process for producing dichlorodiphenylsulfone | UBE INDUSTRIES, LTD. (JP) | 1994-04-20 | — | — | EP | disclosed |
| EP-0592875-A1 | Process for producing dichlorodiphenylsulfone | UBE INDUSTRIES, LTD. (JP) | 1994-04-20 | — | — | EP | 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 (5 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-20090227793-A1 | IMAGE-FORMING MATERIAL | PLIN5, PLIN1, SEPTIN7 | MMP1 900/4885MMP8 3886/4885MMP13 3730/4885 |
| US-20100071592-A1 | IMAGE-FORMING MATERIAL | PLIN5, PLIN1, SEPTIN7 | MMP1 1855/4885MMP8 4266/4885MMP13 4310/4885 |
| US-20240058452-A1 | PHARMACEUTICAL COMPOSITION CONTAINING TEMPERATURE-RESPONSIVE IONIC LIQUID | SULT1A1, CYP2C19, SULT2A1 | MMP1 4509/4885MMP8 4848/4885MMP13 4371/4885 |
| US-20100092885-A1 | IMAGE FORMING MATERIAL | SEPTIN7, SEPTIN2, PLIN5 | MMP1 867/4885MMP8 3542/4885MMP13 3126/4885 |
| US-20220144778-A1 | MONO-(ACID) SALTS OF 6-AMINOISOQUINOLINES AND USES THEREOF | AADAT, SLC10A1, SLC10A2 | MMP1 3881/4885MMP8 2907/4885MMP13 4331/4885 |
“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.