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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.40 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 7/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | APAF1 | O14727 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | RAD52 | P43351 | 1/20 | 0.30 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL135552 | 0.96 | TSHR (0.46) | TSHRLMNATHRBALDH1A1TDP1 | |
| SCHEMBL28438742 | 0.96 | TSHR (0.46) | TSHRLMNATHRBALDH1A1TDP1 | |
| Ammonia Solution, Strong SCHEMBL28759713 | 0.92 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| SCHEMBL863480 | 0.92 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| Iodide SCHEMBL27498959 | 0.92 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL336735 | 0.92 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| Iodide SCHEMBL6657020 | 0.92 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| SCHEMBL3577655 | 0.92 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| SCHEMBL2139803 | 0.92 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 | |
| SCHEMBL28092082 | 0.92 | TSHR (0.43) | TSHRLMNATHRBALDH1A1TDP1 |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112680267-A | Lubricating oil formula for air compressor | 四川帕米特压缩机有限公司 | 2021-04-20 | — | — | CN | claimed |
| CN-107603709-B | Anti-carbon-deposition lubricating oil and preparation method thereof | 黄山市强力化工有限公司 | 2020-02-14 | — | — | CN | claimed |
| CN-109880081-A | A kind of preparation method of the polyester polyol containing polyamide segment | 美瑞新材料股份有限公司 | 2019-06-14 | — | — | CN | claimed |
| CN-107828047-A | Good polyurethane medical gloves of strong antibacterial anti-wear performance and preparation method thereof | 李晓强 | 2018-03-23 | — | — | CN | claimed |
| CN-107603709-A | A kind of anti-carbon type lubricating oil and preparation method thereof | 黄山市强力化工有限公司 | 2018-01-19 | — | — | CN | claimed |
| CN-101565498-A | Polyaspartic diol ester containing amino side chain and its synthesis process and use | CHINESE ACAD TECH INST PHYSICS (CN) | 2009-10-28 | — | — | CN | claimed |
| CN-1037850-C | Biodegradable resins and a process for the preparation thereof | SUNJONG CO LTD (KR) | 1998-03-25 | — | — | CN | claimed |
| CN-1088945-A | Thermoplasticity Biodegradable resin and preparation method thereof | SUNJONG CO LTD (KR) | 1994-07-06 | — | — | CN | claimed |
| US-4265958-A | Method for the treatment of wood by a wood preserving agent, as well as wood treated with such a wood preservative agent | HOEKA SIERPLEISTERS EN MUURVERVEN B.V. (NL) | 1981-05-05 | — | — | US | claimed |
| CN-112680267-A | Lubricating oil formula for air compressor | 四川帕米特压缩机有限公司 | 2021-04-20 | — | — | CN | disclosed |
| CN-112384522-A | Preparation method of sucrose-6-carboxylate | 安徽金禾实业股份有限公司 | 2021-02-19 | — | — | CN | disclosed |
| CN-110028643-A | A kind of polyamide solution and preparation method thereof | 美瑞新材料股份有限公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-110028643-A | A kind of polyamide solution and preparation method thereof | 美瑞新材料股份有限公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-109880081-A | A kind of preparation method of the polyester polyol containing polyamide segment | 美瑞新材料股份有限公司 | 2019-06-14 | — | — | CN | disclosed |
| WO-2010074925-A1 | IN-SITU CATALYST AND MOISTURE GENERATION FOR CROSSLINKING OF SILANE-FUNCTIONALIZED POLYOLEFINS | DOW GLOBAL TECHNOLOGIES INC. (US) | 2010-07-01 | — | — | WO | disclosed |
| CN-101565498-A | Polyaspartic diol ester containing amino side chain and its synthesis process and use | CHINESE ACAD TECH INST PHYSICS (CN) | 2009-10-28 | — | — | CN | disclosed |
| CN-101410166-A | Mixture for carbon dioxide recovery/utilization and transportation | ASAHI CHEMICAL CORP (JP) | 2009-04-15 | — | — | CN | disclosed |
| CN-1037850-C | Biodegradable resins and a process for the preparation thereof | SUNJONG CO LTD (KR) | 1998-03-25 | — | — | CN | disclosed |
| CN-1088945-A | Thermoplasticity Biodegradable resin and preparation method thereof | SUNJONG CO LTD (KR) | 1994-07-06 | — | — | CN | disclosed |
| EP-0009316-B1 | METHOD OF MAKING A WATER-SOLUBLE POLYESTER RESIN AND ITS USE FOR COATING ELECTRICAL CONDUCTORS | WESTINGHOUSE ELECTRIC CORPORATION (US) | 1983-01-26 | — | — | EP | disclosed |