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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.41 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.39 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.92 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.92 |
| ▸ | ADH1B | P00325 | 3/20 | 0.50 |
| ▸ | ADH1C | P00326 | 3/20 | 0.50 |
| ▸ | ADH1A | P07327 | 3/20 | 0.50 |
| ▸ | ADH4 | P08319 | 1/20 | 0.50 |
| ▸ | ADH7 | P40394 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | 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 SCHEMBL2126664 | 1.00 | ALDH1A1 (0.92) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL18657086 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL21375316 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL20733078 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL24771540 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL25122871 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL24839013 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL24771539 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL2397472 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL18657085 | 0.96 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ADH1BADH1CADH1A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1093784-C | Vitreous hot spraying film forming method and material manufacturing method | MURATA BORING GIKEN CO (JP) | 2002-11-06 | — | — | CN | claimed |
| CN-108137511-A | Prepare (E) -3- (4- ((E) -2- (the chloro- 4- fluorophenyls of 2-) -1- (1H- indazole -5- bases) but-1-ene -1- bases) phenyl) acrylic acid | 豪夫迈·罗氏有限公司 | 2018-06-08 | — | — | CN | disclosed |
| US-8303839-B2 | Trioka acid semiconductor cleaning compositions and methods of use | LASERWORT LTD (HK) | 2012-11-06 | — | — | US | disclosed |
| US-20110180747-A1 | Trioka Acid Semiconductor Cleaning Compositions and Methods of Use | LASERWORT LTD (HK) | 2011-07-28 | — | — | US | disclosed |
| US-7947130-B2 | Troika acid semiconductor cleaning compositions and methods of use | LASERWORT LTD (HK) | 2011-05-24 | — | — | US | disclosed |
| US-20110094536-A1 | Troika Acid Semiconductor Cleaning Compositions and Methods of Use | Lee, Wai Mun (US) | 2011-04-28 | — | — | US | disclosed |
| CN-1479716-A | Propionic acid derivatives with PPAR-alpha activating properties | — | 2004-03-03 | — | — | CN | disclosed |
| CN-1195581-A | Vitreous hot spraying film forming method and material manufacturing method | MURATA BORING GIKEN CO JAPAN (JP) | 1998-10-14 | — | — | CN | disclosed |
| US-4233216-A | INTERMEDIATES FOR OXADETHIACEPHALOSPORINS | SHIONOGI & CO., LTD. (JP) | 1980-11-11 | — | — | US | disclosed |