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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL153914 | 0.96 | POLB (0.52) | POLBMEN1KMT2AALDH1A1CA1 | |
| SCHEMBL8033989 | 0.93 | POLB (0.50) | POLBMEN1KMT2AALDH1A1CA1 | |
| SCHEMBL87465 | 0.93 | POLB (0.50) | POLBMEN1KMT2AALDH1A1CA1 | |
| SCHEMBL18068794 | 0.93 | POLB (0.50) | POLBMEN1KMT2AALDH1A1CA1 | |
| SCHEMBL15502205 | 0.93 | POLB (0.50) | POLBMEN1KMT2AALDH1A1CA1 | |
| SCHEMBL16491142 | 0.93 | POLB (0.50) | POLBMEN1KMT2AALDH1A1CA1 | |
| SCHEMBL8753814 | 0.93 | POLB (0.50) | POLBMEN1KMT2AALDH1A1CA1 | |
| SCHEMBL7521085 | 0.93 | POLB (0.50) | POLBMEN1KMT2AALDH1A1CA1 | |
| SCHEMBL39378 | 0.93 | POLB (0.50) | POLBMEN1KMT2AALDH1A1CA1 | |
| SCHEMBL177611 | 0.93 | POLB (0.50) | POLBMEN1KMT2AALDH1A1CA1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0166416-B1 | A METHOD FOR THE SUSPENSION POLYMERIZATION OF VINYL CHLORIDE MONOMER IN AN AQUEOUS MEDIUM | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1989-09-13 | — | — | EP | claimed |
| WO-2014178313-A1 | MAGNESIUM ION SECONDARY BATTERY, BATTERY PACK USING SAME, AND ELECTROLYTE SOLUTION FOR MAGNESIUM ION SECONDARY BATTERIES | 大日本印刷株式会社 (JP) | 2014-11-06 | — | — | WO | disclosed |
| EP-0964848-A4 | PREPARATION OF ALPHA-AMINO CARBOXYLIC ACID AMIDES | HAMPSHIRE CHEMICAL CORP (US) | 2004-08-04 | — | — | EP | disclosed |
| EP-0964848-A1 | PREPARATION OF $g(a)-AMINO CARBOXYLIC ACID AMIDES | HAMPSHIRE CHEMICAL CORPORATION (US) | 1999-12-22 | — | — | EP | disclosed |
| EP-0888269-A1 | SEPARATION OF MONOETHERS FROM DIETHERS | ARCO Chemical Technology, L.P. (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1998031657-A1 | PREPARATION OF α-AMINO CARBOXYLIC ACID AMIDES | HAMPSHIRE CHEMICAL CORP. (US) | 1998-07-23 | — | — | WO | disclosed |
| WO-1997033852-A1 | SEPARATION OF MONOETHERS FROM DIETHERS | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1997-09-18 | — | — | WO | disclosed |
| US-5567858-A | COATINGS, SEAL, VARNISHES, ADHESIVES | RENSSELAER POLYTECHNIC INSTITUTE (US) | 1996-10-22 | — | — | US | disclosed |
| US-5486545-A | SOLVENT RESISTANCE | RENSSELAER POLYTECHNIC INSTITUTE (US) | 1996-01-23 | — | — | US | disclosed |
| EP-0414990-B1 | Alkaline cell | MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) | 1994-01-26 | — | — | EP | disclosed |
| EP-0414990-A1 | Alkaline cell | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1991-03-06 | — | — | EP | disclosed |
| US-4963447-A | GELLING AGENT COMPOSED OF GRANULAR CROSSLINKING TYPE BRANCHED CARBOXYVINYL POLYMER; SHOCKPROOF | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1990-10-16 | — | — | US | disclosed |
| US-4264326-A | COLORFASTNESS | PRODUITS CHIMIQUES UGINE KUHLMANN (FR) | 1981-04-28 | — | — | US | disclosed |