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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 3/20 | 0.68 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.58 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.58 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.58 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.58 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.54 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.54 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.54 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.54 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.54 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.54 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.54 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.54 |
| ▸ | ITGB3 known ✓ | P05106 | 1/20 | 0.51 |
| ▸ | ITGA2B known ✓ | P08514 | 1/20 | 0.51 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.69 |
| ▸ | ALPI | P09923 | 1/20 | 0.68 |
| ▸ | PKM | P14618 | 1/20 | 0.68 |
| ▸ | XIAP | P98170 | 1/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.58 |
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 SCHEMBL2776212 | 1.00 | SLC7A5 (0.69) | SLC7A5PTGS1ALPIPKMXIAP | |
| Water SCHEMBL2778595 | 1.00 | SLC7A5 (0.69) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL288375 | 0.98 | SLC7A5 (0.71) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL43852 | 0.98 | SLC7A5 (0.71) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL43851 | 0.98 | SLC7A5 (0.71) | SLC7A5PTGS1ALPIPKMXIAP | |
| Hydrochloric Acid SCHEMBL3873365 | 0.96 | SLC7A5 (0.69) | SLC7A5PTGS1ALPIPKMXIAP | |
| Hydrochloric Acid SCHEMBL28269648 | 0.96 | SLC7A5 (0.69) | SLC7A5PTGS1ALPIPKMXIAP | |
| Hydrochloric Acid SCHEMBL27245458 | 0.94 | SLC7A5 (0.67) | SLC7A5PTGS1ALPIPKMXIAP | |
| SCHEMBL31369911 | 0.92 | SLC7A5 (0.65) | SLC7A5PTGS1ALPIPKMXIAP | |
| Phenylalanine SCHEMBL16207858 | 0.92 | SLC7A5 (0.81) | SLC7A5PTGS1ALPIPKMXIAP |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5757408-A | PRINTING IMAGE ON SUBSTRATE COATED WITH AMINO-ACID DERIVATIVE ADDITIVE; QUICK DRYING OF INK, OPTICAL DENSITY, NONCURLING | XEROX CORPORATION (US) | 1998-05-26 | — | — | 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 |
| EP-2861660-B1 | THERMOPLASTIC MELT-MIXED COMPOSITION WITH AMINO ACID HEAT STABILIZER | DU PONT (US) | 2018-09-05 | — | — | EP | disclosed |
| US-9080034-B2 | Thermoplastic melt-mixed composition with amino acid heat stabilizer | E I DU PONT DE NEMOURS AND COMPANY (US) | 2015-07-14 | — | — | US | disclosed |
| EP-2861668-A1 | THERMOPLASTIC MELT-MIXED COMPOSITION WITH EPOXY-CARBOXYLIC ACID COMPOUND HEAT STABILIZER | E. I. Du Pont de Nemours and Company (US) | 2015-04-22 | — | — | EP | disclosed |
| EP-2861660-A1 | THERMOPLASTIC MELT-MIXED COMPOSITION WITH AMINO ACID HEAT STABILIZER | E. I. Du Pont de Nemours and Company (US) | 2015-04-22 | — | — | EP | disclosed |
| CN-104364315-A | Thermoplastic melt-mixed composition with epoxy-carboxylic acid compound heat stabilizer | DU PONT | 2015-02-18 | — | — | CN | disclosed |
| CN-104350096-A | Thermoplastic melt-mixed composition with amino acid heat stabilizer | DU PONT | 2015-02-11 | — | — | CN | disclosed |
| US-8871874-B2 | Thermoplastic melt-mixed composition with epoxy-amino acid compound heat stabilizer and processes for their preparation | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-10-28 | — | — | US | disclosed |
| WO-2013188302-A1 | THERMOPLASTIC MELT-MIXED COMPOSITION WITH AMINO ACID HEAT STABILIZER | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2013-12-19 | — | — | WO | disclosed |
| US-5757408-A | PRINTING IMAGE ON SUBSTRATE COATED WITH AMINO-ACID DERIVATIVE ADDITIVE; QUICK DRYING OF INK, OPTICAL DENSITY, NONCURLING | XEROX CORPORATION (US) | 1998-05-26 | — | — | US | disclosed |
| US-5683793-A | Ink jet transparencies | XEROX CORPORATION (US) | 1997-11-04 | — | — | US | disclosed |
| WO-1997027315-A1 | COMBINATORIAL HYDROXYPROPYLAMINE LIBRARY | PHARMACOPEIA, INC. (US) | 1997-07-31 | — | — | WO | disclosed |
| EP-0751765-A4 | SULFONAMIDE DERIVATIVES AND THEIR USE | PHARMACOPEIA INC (US) | 1997-05-28 | — | — | EP | disclosed |
| US-5618825-A | ENZYME INHIBITORS; ANTICOAGULANTS; VISION DISORDERS | PHARMACOPEIA, INC. (US) | 1997-04-08 | — | — | US | disclosed |
| EP-0751765-A1 | SULFONAMIDE DERIVATIVES AND THEIR USE | PHARMACOPEIA, INC. (US) | 1997-01-08 | — | — | EP | disclosed |
| US-5589277-A | INK JET PRINTING, AQUEOUS INKS, FAST DRYING | XEROX CORPORATION (US) | 1996-12-31 | — | — | US | disclosed |
| WO-1995024186-A1 | SULFONAMIDE DERIVATIVES AND THEIR USE | PHARMACOPEIA, INC. (US) | 1995-09-14 | — | — | WO | disclosed |