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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 SCHEMBL5053491 | 1.00 | TDP1 (0.50) | TDP1MAPK1HSD17B10TSHRLMNA | |
| SCHEMBL8747551 | 0.97 | — | — | |
| SCHEMBL16542024 | 0.97 | — | — | |
| SCHEMBL7612087 | 0.97 | TDP1 (0.52) | TDP1MAPK1HSD17B10TSHRLMNA | |
| SCHEMBL23248656 | 0.97 | — | — | |
| SCHEMBL23248659 | 0.97 | — | — | |
| SCHEMBL15111 | 0.97 | — | — | |
| Water SCHEMBL8470080 | 0.95 | TDP1 (0.52) | TDP1MAPK1HSD17B10TSHRLMNA | |
| Propylene Glycol SCHEMBL412141 | 0.95 | TDP1 (0.53) | TDP1MAPK1HSD17B10TSHRLMNA | |
| Methyl Alcohol SCHEMBL6033793 | 0.95 | TDP1 (0.50) | TDP1MAPK1HSD17B10TSHRLMNA |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4824891-B2 | — | — | 2011-11-30 | — | — | JP | claimed |
| EP-1242556-A4 | ACID BASED MICRO-EMULSIONS | INTEGRITY IND INC (US) | 2005-03-09 | — | — | EP | claimed |
| EP-1242556-A1 | ACID BASED MICRO-EMULSIONS | Integrity Industries, Inc. (US) | 2002-09-25 | — | — | EP | claimed |
| US-20020132740-A1 | ACID BASED MICRO-EMULSIONS | SIENA LENDING GROUP LLC | 2002-09-19 | — | — | US | claimed |
| WO-2001042387-A1 | ACID BASED MICRO-EMULSIONS | INTEGRITY INDUSTRIES, INC. (US) | 2001-06-14 | — | — | WO | claimed |
| US-4780235-A | LOW TOXICITY | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-10-25 | — | — | US | claimed |
| CN-119096992-A | Insecticidal composition and application thereof | 江苏钟山新材料有限公司 | 2024-12-10 | — | — | CN | disclosed |
| CN-118593394-A | Vine tea compound, preparation method thereof and cosmetics | 青然新护(杭州)科技有限公司 | 2024-09-06 | — | — | CN | disclosed |
| WO-2024111614-A1 | WATER REPELLENT COMPOSITION, METHOD FOR PRODUCING NON-FLUORINE POLYMER, PROCESSING METHOD AND ARTICLE | ＡＧＣ株式会社 | 2024-05-30 | — | — | WO | disclosed |
| WO-2024111611-A1 | WATER REPELLENT COMPOSITION, PRODUCTION METHOD FOR FLUORINE-FREE POLYMER, TREATMENT METHOD AND ARTICLE | ＡＧＣ株式会社 | 2024-05-30 | — | — | WO | disclosed |
| CN-114515253-B | Stable anti-aging and whitening composition and preparation method and application thereof | 苏州日月年世生物科技有限公司 | 2022-11-11 | — | — | CN | disclosed |
| CN-114515253-A | Stable anti-aging and whitening composition and preparation method and application thereof | 广州清淞泉生物科技有限公司 | 2022-05-20 | — | — | CN | disclosed |
| US-10945942-B2 | Starting material for cosmetics | SHISEIDO COMPANY, LTD. (JP) | 2021-03-16 | — | — | US | disclosed |
| CN-1671809-A | Organic solvent-based printing inks | CIBA SC HOLDING AG (CH) | 2005-09-21 | — | — | CN | disclosed |
| CN-1095813-C | Cement composition | GRACE W R & CO (US) | 2002-12-11 | — | — | CN | disclosed |
| CN-1278807-A | Herbicidal N-alkenyl Heteroaryloxyacetamides | AMERICAN CYANAMID CO (US) | 2001-01-03 | — | — | CN | disclosed |
| CN-1183757-A | Cement composition | GRACE W R & CO (US) | 1998-06-03 | — | — | CN | disclosed |
| EP-0809714-A4 | MODIFIERS FOR ALDOXIME EXTRACTANT OF METAL VALUES | HENKEL CORP (US) | 1998-05-06 | — | — | EP | disclosed |
| EP-0809714-A1 | MODIFIERS FOR ALDOXIME EXTRACTANT OF METAL VALUES | HENKEL CORPORATION (US) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996025525-A1 | MODIFIERS FOR ALDOXIME EXTRACTANT OF METAL VALUES | HENKEL CORPORATION (US) | 1996-08-22 | — | — | WO | 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-10945942-B2 | Starting material for cosmetics | CUTA, CORO1A, TMEM63A | TDP1 2586/4885MAPK1 3175/4885HSD17B10 2860/4885 |
“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.