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 | |
|---|---|---|---|---|
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.50 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
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 SCHEMBL2004054 | 1.00 | ALDH1A1 (0.60) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL23288 | 0.97 | ALDH1A1 (0.63) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL711798 | 0.97 | ALDH1A1 (0.63) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL10454889 | 0.94 | ALDH1A1 (0.60) | ALDH1A1ALOX15CA12CA1CA2 | |
| Lithium SCHEMBL31339528 | 0.94 | ALDH1A1 (0.60) | ALDH1A1ALOX15CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL3459326 | 0.94 | ALDH1A1 (0.60) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL31253427 | 0.94 | ALDH1A1 (0.60) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL1535448 | 0.94 | ALDH1A1 (0.60) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL723062 | 0.94 | ALDH1A1 (0.60) | ALDH1A1ALOX15CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL1564027 | 0.94 | ALDH1A1 (0.60) | ALDH1A1ALOX15CA12CA1CA2 |
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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501567-A | It is a kind of to be used to detect metal-organic framework material of the dyestuff containing two-photon of physiological temp and preparation method thereof | 浙江大学 | 2017-12-22 | — | — | CN | claimed |
| CN-104045658-B | A kind of porous rare earth metal-organic fluorescence materials and preparation method thereof and purposes | ZHEJIANG UNIVERSITY (CN) | 2015-12-02 | — | — | CN | claimed |
| CN-104045658-A | Porous rare-earth metal-organic fluorescent material and preparation method and application thereof | UNIV ZHEJIANG | 2014-09-17 | — | — | CN | claimed |
| EP-1807476-B1 | SHOCK RESISTANT CYANOACRYLATE COMPOSITIONS | LOCTITE R & D LTD (IE) | 2012-05-09 | — | — | EP | claimed |
| EP-1807476-A1 | SHOCK RESISTANT CYANOACRYLATE COMPOSITIONS | Loctite (R & D) Limited (IE) | 2007-07-18 | — | — | EP | claimed |
| WO-2006048851-A1 | SHOCK RESISTANT CYANOACRYLATE COMPOSITIONS | LOCTITE (R & D) LIMITED (IE) | 2006-05-11 | — | — | WO | claimed |
| US-20060094833-A1 | Shock resistant cyanoacrylate compositions | LOCTITE (R&D) LIMITED | 2006-05-04 | — | — | US | claimed |
| US-11993729-B2 | Chemical mechanical polishing composition | BASF SE (DE) | 2024-05-28 | — | — | US | disclosed |
| US-20230049023-A1 | LOW ODOUR CYANOACRYLATE COMPOSITION | HENKEL AG & CO KGAA (DE) | 2023-02-16 | — | — | US | disclosed |
| EP-3714012-B1 | CHEMICAL MECHANICAL POLISHING COMPOSITION | BASF SE (DE) | 2023-01-11 | — | — | EP | disclosed |
| CN-115362230-A | Low odor cyanoacrylate compositions | 汉高股份有限及两合公司 | 2022-11-18 | — | — | CN | disclosed |
| CN-107922787-B | Use of Chemical Mechanical Polishing (CMP) compositions for polishing cobalt-containing substrates | 巴斯夫欧洲公司 | 2021-06-29 | — | — | CN | disclosed |
| US-11040052-B2 | Methods and pharmaceutical compositions for modulating autophagy in a subject in need thereof | INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) | 2021-06-22 | — | — | US | disclosed |
| EP-1304355-B1 | Inherently electrostatic dissipating block copolymer compositions | EASTMAN CHEM CO (US) | 2005-11-16 | — | — | EP | disclosed |
| EP-1580210-A1 | Inherently electrostatic dissipating block copolymer compositions | Eastman Chemical Company (US) | 2005-09-28 | — | — | EP | disclosed |
| US-20040176537-A1 | Inherently electrostatic dissipating block copolymer compositions | EASTMAN CHEMICAL COMPANY | 2004-09-09 | — | — | US | disclosed |
| US-6667194-B1 | Method of bonding die chip with underfill fluxing composition | HENKEL LOCTITE CORPORATION | 2003-12-23 | — | — | US | disclosed |
| US-20030130419-A1 | Inherently electrostatic dissipating block copolymer compositions | EASTMAN CHEMICAL COMPANY | 2003-07-10 | — | — | US | disclosed |
| EP-1304355-A2 | Inherently electrostatic dissipating block copolymer compositions | EASTMAN CHEMICAL COMPANY (US) | 2003-04-23 | — | — | EP | disclosed |
| US-20030035917-A1 | Image making medium | HYMAN SYDNEY (US) | 2003-02-20 | — | — | 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 (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-11040052-B2 | Methods and pharmaceutical compositions for modulating autophagy in a subject in need thereof | BECN1, ATG7, SQSTM1 | HDAC8 1346/4885ALDH1A1 3922/4885ALOX15 1033/4885 |
“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.