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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL28527513 | 1.00 | TSHR (0.40) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| Water SCHEMBL28374025 | 1.00 | TSHR (0.40) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| SCHEMBL2698666 | 0.96 | TSHR (0.43) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| Sodium Persulfate SCHEMBL9188 | 0.96 | TSHR (0.43) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| Sulfuric Acid SCHEMBL8407341 | 0.92 | TSHR (0.40) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| Water SCHEMBL29201445 | 0.92 | MEN1 (0.31) | TSHRMEN1ALDH1A1KMT2A | |
| SCHEMBL31390311 | 0.92 | TSHR (0.40) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| Water SCHEMBL11530778 | 0.92 | MEN1 (0.31) | TSHRMEN1ALDH1A1KMT2A | |
| SCHEMBL29448842 | 0.92 | TSHR (0.40) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| SCHEMBL31508284 | 0.92 | TSHR (0.40) | TSHRMEN1ALDH1A1KMT2ARECQL |
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 |
|---|---|---|---|---|---|---|---|
| US-20230012924-A1 | COMBINATION OF CROSSLINKERS TO IMPROVE COATING PROPERTIES | BASF SE (DE) | 2023-01-19 | — | — | US | disclosed |
| EP-4093718-A1 | ROOFING TILE COATING COMPOSITIONS | Celanese International Corporation (US) | 2022-11-30 | — | — | EP | disclosed |
| CN-110407973-B | Preparation method of cationic emulsifier for rosin size | 上海东升新材料有限公司 | 2022-02-08 | — | — | CN | disclosed |
| CN-108675942-A | A kind of preparation method of aromatic nitrile compounds | 杭州盛漫生物科技有限公司 | 2018-10-19 | — | — | CN | disclosed |
| CN-102862998-B | Method for producing sodium hydrogen sulfate and/or hydrate thereof by utilizing side product waste acid residue generated in production of chromic anhydride through sulfuric acid method | SICHUAN ANXIAN YINHE JIANHUA GROUP CO LTD | 2014-07-02 | — | — | CN | disclosed |
| US-8367551-B2 | Spin-printing of etchants and modifiers | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-02-05 | — | — | US | disclosed |
| CN-102862998-A | Method for producing sodium hydrogen sulfate and/or hydrate thereof by utilizing side product waste acid residue generated in production of chromic anhydride through sulfuric acid method | SICHUAN ANXIAN YINHE JIANHUA GROUP CO LTD | 2013-01-09 | — | — | CN | disclosed |
| US-7723396-B2 | Foam composites with emulsion polymer films | ROHM AND HAAS COMPANY (US) | 2010-05-25 | — | — | US | disclosed |
| US-7691280-B2 | Ink jet printing of etchants and modifiers | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-04-06 | — | — | US | disclosed |
| US-20080281005-A1 | Composites with emulsion polymer films | ROHM AND HAAS COMPANY | 2008-11-13 | — | — | US | disclosed |
| US-20060264049-A1 | Spin-printing of etchants and modifiers | E. I. DU PONT DE NEMOURS AND COMPANY | 2006-11-23 | — | — | US | disclosed |
| US-20060213870-A1 | for patterning electronics and displays | E. I. DU PONT DE NEMOURS AND COMPANY | 2006-09-28 | — | — | US | disclosed |
| WO-1994024054-A1 | METHOD FOR TREATING WATER USING AN ORGANIC SANITIZER AND A PERSULFATE | FMC CORPORATION (US) | 1994-10-27 | — | — | WO | disclosed |