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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.42 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.42 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.40 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.93 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | SELL | P14151 | 1/20 | 0.48 |
| ▸ | SELP | P16109 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
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 SCHEMBL7231103 | 1.00 | CYP1A2 (0.93) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| SCHEMBL22122 | 0.97 | CYP1A2 (1.00) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| SCHEMBL29417502 | 0.97 | CYP1A2 (1.00) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| SCHEMBL31441233 | 0.93 | CYP1A2 (0.93) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| Lithium SCHEMBL30762268 | 0.93 | CYP1A2 (0.93) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| SCHEMBL7737377 | 0.93 | CYP1A2 (0.93) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| SCHEMBL268488 | 0.93 | CYP1A2 (0.93) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| Hydrochloric Acid SCHEMBL9860390 | 0.93 | CYP1A2 (0.93) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| Lithium SCHEMBL30762269 | 0.93 | CYP1A2 (0.93) | CYP1A2ALDH1A1ALOX15HSD17B10SELL | |
| Hydrochloric Acid SCHEMBL338127 | 0.93 | CYP1A2 (0.93) | CYP1A2ALDH1A1ALOX15HSD17B10SELL |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6057262-A | REACTING A BIOMASS FEEDSTOCK WITH A PROCESSING AGENT IN THE PRESENCE OF AN ACTIVATION AGENT, HEATING THE BIOMASS MIXTURE, LEACHING AND DRYING | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2000-05-02 | — | — | US | claimed |
| US-5683793-A | Ink jet transparencies | XEROX CORPORATION (US) | 1997-11-04 | — | — | US | claimed |
| US-5589277-A | INK JET PRINTING, AQUEOUS INKS, FAST DRYING | XEROX CORPORATION (US) | 1996-12-31 | — | — | US | claimed |
| EP-0667246-A1 | Recording sheets containing amino acids, hydroxy acids, and polycarboxyl compounds | XEROX CORPORATION (US) | 1995-08-16 | — | — | EP | claimed |
| CN-107043391-B | Organic electroluminescent material containing alkaline earth metal-organic framework and device | 中央研究院 | 2019-08-06 | — | — | CN | disclosed |
| US-9278909-B2 | Amide-extended crosslinking compounds and methods for use thereof | DESIGNER MOLECULES, INC. (US) | 2016-03-08 | — | — | US | disclosed |
| US-8637611-B2 | Amide-extended crosslinking compounds and methods for use thereof | DESIGNER MOLECULES, INC. (US) | 2014-01-28 | — | — | US | disclosed |
| US-20130338313-A1 | AMIDE-EXTENDED CROSSLINKING COMPOUNDS AND METHODS FOR USE THEREOF | DESIGNER MOLECULES, INC. (US) | 2013-12-19 | — | — | US | disclosed |
| US-20130203895-A1 | CURING AGENTS FOR EPOXY RESINS | DESIGNER MOLECULES, INC. (US) | 2013-08-08 | — | — | US | disclosed |
| US-20130199724-A1 | CURATIVES FOR EPOXY COMPOSITIONS | DESIGNER MOLECULES, INC. (US) | 2013-08-08 | — | — | US | disclosed |
| US-20130012620-A1 | CURING AGENTS FOR EPOXY RESINS | DESIGNER MOLECULES, INC. (US) | 2013-01-10 | — | — | US | disclosed |
| US-8288591-B2 | Curing agents for epoxy resins | DESIGNER MOLECULES, INC. (US) | 2012-10-16 | — | — | US | 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 |
| WO-2003104245-A1 | MULTIMER FORMS OF MONO- AND BIS-ACYLPHOSPHINE OXIDES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2003-12-18 | — | — | WO | 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 |
| US-6110264-A | Phase change inks and methods of forming phase change inks | XEROX CORPORATION (US) | 2000-08-29 | — | — | US | disclosed |
| US-6057262-A | REACTING A BIOMASS FEEDSTOCK WITH A PROCESSING AGENT IN THE PRESENCE OF AN ACTIVATION AGENT, HEATING THE BIOMASS MIXTURE, LEACHING AND DRYING | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2000-05-02 | — | — | 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-20130012620-A1 | CURING AGENTS FOR EPOXY RESINS | DOT1L, EHMT1, ASH1L | ESR2 802/4885HDAC8 237/4885ALOX5 59/4885 |
“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.