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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.48 |
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.45 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.45 |
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | RECQL | P46063 | 4/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.67 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.67 |
| ▸ | EHMT2 | Q96KQ7 | 2/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.67 |
| ▸ | CA1 | P00915 | 1/20 | 0.67 |
| ▸ | CA2 | P00918 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.67 |
| ▸ | CASP1 | P29466 | 1/20 | 0.67 |
| ▸ | CA7 | P43166 | 1/20 | 0.67 |
| ▸ | BACE1 | P56817 | 1/20 | 0.67 |
| ▸ | CA9 | Q16790 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | APAF1 | O14727 | 5/20 | 0.48 |
| ▸ | TDP2 | O95551 | 5/20 | 0.48 |
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 SCHEMBL11756268 | 1.00 | ALDH1A1 (0.67) | ALDH1A1RECQLL3MBTL1ALOX12EHMT2 | |
| SCHEMBL208765 | 0.97 | ALDH1A1 (0.70) | ALDH1A1RECQLL3MBTL1ALOX12EHMT2 | |
| SCHEMBL11587106 | 0.94 | ALDH1A1 (0.67) | ALDH1A1RECQLL3MBTL1ALOX12EHMT2 | |
| Water SCHEMBL592691 | 0.83 | CA1 (0.94) | ALDH1A1RECQLL3MBTL1ALOX12EHMT2 | |
| SCHEMBL11136806 | 0.80 | ALDH1A1 (0.70) | ALDH1A1RECQLL3MBTL1ALOX12EHMT2 | |
| SCHEMBL29350272 | 0.80 | CA1 (1.00) | ALDH1A1RECQLL3MBTL1ALOX12EHMT2 | |
| SCHEMBL3658029 | 0.80 | CA1 (1.00) | ALDH1A1RECQLL3MBTL1ALOX12EHMT2 | |
| SCHEMBL17986 | 0.80 | CA1 (1.00) | ALDH1A1RECQLL3MBTL1ALOX12EHMT2 | |
| Ammonia Solution, Strong SCHEMBL1286269 | 0.78 | CA1 (0.94) | ALDH1A1RECQLL3MBTL1ALOX12EHMT2 | |
| SCHEMBL4921601 | 0.78 | CA1 (0.94) | ALDH1A1RECQLL3MBTL1ALOX12EHMT2 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0743574-B1 | Migration imaging members | XEROX CORP (US) | 2000-12-27 | — | — | EP | claimed |
| EP-0743573-B1 | Method for obtaining image contrast migration imaging members | XEROX CORP (US) | 2000-09-06 | — | — | EP | claimed |
| US-5709737-A | AQUEOUS LIQUID VEHICLE, COLORANT, ALCOHOL ADDITIVE; SUITABLE FOR MICROWAVE DRYING PROCESSES | XEROX CORPORATION (US) | 1998-01-20 | — | — | US | claimed |
| EP-0743574-A2 | Migration imaging members | XEROX CORPORATION (US) | 1996-11-20 | — | — | EP | claimed |
| EP-0743573-A2 | Method for obtaining image contrast migration imaging members | XEROX CORPORATION (US) | 1996-11-20 | — | — | EP | claimed |
| US-5563014-A | SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT | XEROX CORPORATION (US) | 1996-10-08 | — | — | US | claimed |
| US-5514505-A | SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE | XEROX CORPORATION (US) | 1996-05-07 | — | — | US | claimed |
| EP-0667245-A1 | Recording sheets containing alcohols and saccharides | XEROX CORPORATION (US) | 1995-08-16 | — | — | EP | claimed |
| US-20070060605-A1 | Compositions and methods for inhibiting platelet activation and thrombosis | FLAUMENHAFT ROBERT C | 2007-03-15 | — | — | US | disclosed |
| US-7166612-B2 | Methods for reducing platelet activation platelet aggregaton or thrombosis | BETH ISRAEL DEACONESS MEDICAL CENTER (US) | 2007-01-23 | — | — | US | disclosed |
| US-20040147540-A1 | Compositions and methods for inhibiting platelet activation and thrombosis | BETH ISRAEL DEACONESS MEDICAL CENTER | 2004-07-29 | — | — | US | disclosed |
| EP-1406621-A2 | COMPOSITIONS AND METHODS FOR INHIBITING PLATELET ACTIVATION AND THROMBOSIS | Beth Israel Deaconess Medical Center (US) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003001968-A2 | COMPOSITIONS AND METHODS FOR INHIBITING PLATELET ACTIVATION AND THROMBOSIS | BETH ISRAEL DEACONESS MEDICAL CENTER (US) | 2003-01-09 | — | — | WO | disclosed |
| EP-0743574-B1 | Migration imaging members | XEROX CORP (US) | 2000-12-27 | — | — | EP | disclosed |
| US-5709737-A | AQUEOUS LIQUID VEHICLE, COLORANT, ALCOHOL ADDITIVE; SUITABLE FOR MICROWAVE DRYING PROCESSES | XEROX CORPORATION (US) | 1998-01-20 | — | — | US | disclosed |
| EP-0743574-A2 | Migration imaging members | XEROX CORPORATION (US) | 1996-11-20 | — | — | EP | disclosed |
| EP-0743573-A2 | Method for obtaining image contrast migration imaging members | XEROX CORPORATION (US) | 1996-11-20 | — | — | EP | disclosed |
| US-5563014-A | SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT | XEROX CORPORATION (US) | 1996-10-08 | — | — | US | disclosed |
| US-5514505-A | SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE | XEROX CORPORATION (US) | 1996-05-07 | — | — | US | disclosed |
| EP-0667245-A1 | Recording sheets containing alcohols and saccharides | XEROX CORPORATION (US) | 1995-08-16 | — | — | 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 (2 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-20070060605-A1 | Compositions and methods for inhibiting platelet activation and thrombosis | PLA2G7, PLTP, PLAAT2 | THRB 3454/4885MEN1 4707/4885ABL1 240/4885 |
| US-20040147540-A1 | Compositions and methods for inhibiting platelet activation and thrombosis | PLA2G7, PLTP, PLAAT2 | THRB 3454/4885MEN1 4707/4885ABL1 240/4885 |
“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.