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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.38 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | GFER | P55789 | 2/20 | 0.52 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28087334 | 0.98 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4MAPK1L3MBTL1 | |
| SCHEMBL8521178 | 0.98 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4MAPK1L3MBTL1 | |
| SCHEMBL33874 | 0.98 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4MAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL8756114 | 0.95 | ALDH1A1 (0.52) | ALDH1A1TDP1CYP3A4MAPK1L3MBTL1 | |
| SCHEMBL33796 | 0.95 | ALDH1A1 (0.52) | ALDH1A1TDP1CYP3A4MAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL7714474 | 0.95 | ALDH1A1 (0.52) | ALDH1A1TDP1CYP3A4MAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL9637634 | 0.93 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4MAPK1L3MBTL1 | |
| SCHEMBL14940571 | 0.91 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4MAPK1L3MBTL1 | |
| SCHEMBL34106 | 0.91 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4MAPK1L3MBTL1 | |
| Sulfuric Acid SCHEMBL3359652 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TDP1CYP3A4MAPK1L3MBTL1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230233431-A1 | PRETREATMENT COMPOSITION OF A PROCESS FOR DYEING OR BLEACHING KERATIN FIBERS | L'OREAL (FR) | 2023-07-27 | — | — | US | disclosed |
| EP-3389622-B1 | OXIDIZING COMPOSITION FOR TREATING KERATIN MATERIALS, COMPRISING A FATTY SUBSTANCE AND OXYALKYLENATED SURFACTANTS | OREAL (FR) | 2023-01-04 | — | — | EP | disclosed |
| EP-2841168-B1 | DYEING PROCESS USING A MIXTURE COMPRISING A BRANCHED C6-C12 POLYOL, OBTAINED FROM AN AEROSOL DEVICE, AND DEVICE THEREFOR | OREAL (FR) | 2022-02-23 | — | — | EP | disclosed |
| EP-3544576-B1 | DYE COMPOSITION COMPRISING 12-HYDROXYSTEARIC ACID, AN ORGANIC AMINE AND A DYE | OREAL (FR) | 2021-08-18 | — | — | EP | disclosed |
| EP-2515842-B1 | DYEING COMPOSITION COMPRISING A POLYCONDENSATE OF ETHYLENE OXIDE AND PROPYLENE OXIDE | OREAL (FR) | 2020-04-29 | — | — | EP | disclosed |
| EP-2793802-B1 | OXIDATION DYEING PROCESS USING A COMPOSITION RICH IN FATTY SUBSTANCES AND COMPRISING METAL CATALYSTS, AND DEVICE SUITABLE THEREFOR | OREAL (FR) | 2019-07-24 | — | — | EP | disclosed |
| EP-3233037-B1 | DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE AND AN ADDITIONAL BASE | OREAL (FR) | 2019-04-10 | — | — | EP | disclosed |
| EP-3389622-A1 | OXIDIZING COMPOSITION FOR TREATING KERATIN MATERIALS, COMPRISING A FATTY SUBSTANCE AND OXYALKYLENATED SURFACTANTS | L'Oréal (FR) | 2018-10-24 | — | — | EP | disclosed |
| EP-3233029-B1 | DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE, A NONIONIC SURFACTANT IN A MEDIUM RICH IN FATTY SUBSTANCES | OREAL (FR) | 2018-09-19 | — | — | EP | disclosed |
| EP-3295924-A1 | COMPOSITION FOR LIGHTENING OR DYEING KERATIN FIBERS WITH A LOW AMOUNT OF OXIDIZING AGENT | The Procter and Gamble Company (US) | 2018-03-21 | — | — | EP | disclosed |
| EP-2926802-B1 | Hair colouring compositions, kits, method, and use thereof | NOXELL CORP (US) | 2017-09-27 | — | — | EP | disclosed |
| EP-2841046-B1 | DYEING PROCESS USING A MIXTURE OBTAINED FROM AN AEROSOL DEVICE COMPRISING A NONIONIC FATTY AMIDE, AND DEVICE THEREFOR | L'ORÉAL (FR) | 2017-07-26 | — | — | EP | disclosed |
| WO-2017103260-A1 | OXIDIZING COMPOSITION FOR TREATING KERATIN MATERIALS, COMPRISING A FATTY SUBSTANCE AND OXYALKYLENATED SURFACTANTS | L'OREAL (FR) | 2017-06-22 | — | — | WO | disclosed |
| EP-2846875-B1 | DYEING PROCESS USING A MIXTURE OBTAINED FROM AN AEROSOL DEVICE COMPRISING A GLYCEROLATED OR AN OXYALKYLENATED CARBOXLIC ACID ETHER SURFACTANT, AND DEVICE THEREFOR | L'ORÉAL (FR) | 2017-06-14 | — | — | EP | disclosed |
| EP-2926802-A1 | Hair colouring compositions, kits, method, and use thereof | The Procter and Gamble Company (US) | 2015-10-07 | — | — | EP | disclosed |
| EP-2198853-B1 | Composition for the oxidative dyeing of keratinous fibres comprising a fatty material and N,N bis-(beta-hydroxyethyl)-paraphenylenediamine | ORÉAL L (FR) | 2015-08-12 | — | — | EP | disclosed |
| EP-2841046-A2 | DYEING PROCESS USING A MIXTURE OBTAINED FROM AN AEROSOL DEVICE COMPRISING A NONIONIC FATTY AMIDE, AND DEVICE THEREFOR | L'Oréal (FR) | 2015-03-04 | — | — | EP | disclosed |
| WO-2013160260-A2 | DYEING PROCESS USING A MIXTURE OBTAINED FROM AN AEROSOL DEVICE COMPRISING A NONIONIC FATTY AMIDE, AND DEVICE THEREFOR | L'OREAL (FR) | 2013-10-31 | — | — | WO | disclosed |
| EP-2198853-A1 | Composition for the oxidative dyeing of keratinous fibres comprising a fatty material and N,N bis-(beta-hydroxyethyl)-paraphenylenediamine | L'OREAL (FR) | 2010-06-23 | — | — | 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 (1 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-20230233431-A1 | PRETREATMENT COMPOSITION OF A PROCESS FOR DYEING OR BLEACHING KERATIN FIBERS | KRT18, COL1A1, CRYAB | MEN1 4561/4885THRB 3864/4885ALDH1A1 500/4885 |
“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.