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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.50 |
| ▸ | ADRB3 known ✓ | P13945 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.75 |
| ▸ | GAA | P10253 | 1/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.75 |
| ▸ | PKM | P14618 | 1/20 | 0.75 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | PPARG | P37231 | 2/20 | 0.57 |
| ▸ | PPARA | Q07869 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28100126 | 1.00 | CYP1A2 (0.75) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| Benzene SCHEMBL27779381 | 0.98 | CYP1A2 (0.78) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL43054 | 0.98 | CYP1A2 (0.78) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL127395 | 0.98 | CYP1A2 (0.78) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL473828 | 0.98 | CYP1A2 (0.78) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL18205114 | 0.96 | CYP1A2 (0.75) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| Hydrochloric Acid SCHEMBL8691716 | 0.96 | CYP1A2 (0.75) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| Hydrochloric Acid SCHEMBL1961683 | 0.96 | CYP1A2 (0.75) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| Hydrochloric Acid SCHEMBL8691488 | 0.96 | CYP1A2 (0.75) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL11842352 | 0.96 | CYP1A2 (0.75) | CYP1A2GAACYP2C9PKMCYP2C19 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110105201-A | A kind of R-(+) -2-(4- hydroxyphenoxy) propionic acid preparation method | 苏州开元民生科技股份有限公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-107986960-B | A method of preparing (R)-(+) -2- (4- hydroxyl fibric acid) propionic acid in micro-structured reactor | 淮安国瑞化工有限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-109867628-A | Substituted aryl pyrazole carboxylic acid compound and application thereof | 沈阳中化农药化工研发有限公司 | 2019-06-11 | — | — | CN | disclosed |
| CN-106478612-B | 2- [4- (quinoxaline -2- base oxygroup) phenoxy group] amide derivatives and the preparation method and application thereof | 湖南大学 | 2019-02-15 | — | — | CN | disclosed |
| CN-106478613-B | 2- [4- (pyridine -2- base oxygroup) phenoxy group] amide derivatives and the preparation method and application thereof | 湖南大学 | 2019-02-15 | — | — | CN | disclosed |
| CN-108794421-A | The method for preparing 2- Lv benzoxazoles and 2,6- dichloro benzoxazoles from o-aminophenol as chlorinating agent using Solid triphosgene | 陈万通 | 2018-11-13 | — | — | CN | disclosed |
| CN-108299185-A | A kind of synthetic method of pesticide intermediate (S)-(-) -2- chloropropionic acids | 江苏丰山集团股份有限公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-107986960-A | A kind of method that (R)-(+) -2- (4- hydroxyls fibric acid) propionic acid is prepared in micro-structured reactor | 淮安国瑞化工有限公司 | 2018-05-04 | — | — | CN | disclosed |
| CN-107183028-A | A kind of ethyl（2R）‑2‑[4‑（The fluorophenoxy of 4 cyano group 2）Phenoxy group] propionic ester and preparation and application | 北京燕化永乐生物科技股份有限公司 | 2017-09-22 | — | — | CN | disclosed |
| CN-105198713-B | Method for catalytically synthesizing 3,4'-dichlorodiphenyl ether by using microwaves | 黄山学院 | 2017-05-10 | — | — | CN | disclosed |
| CN-205995075-U | A kind of device with the pure D lactic acid of continuous crystallization method production bloom | 寿光金远东变性淀粉有限公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-105238769-A | Lipase LIPASE7 as well as coding gene and application thereof | SOUTH CHINA SEA INST OCEANOLOG | 2016-01-13 | — | — | CN | disclosed |
| CN-105198713-A | Method for catalytically synthesizing 3,4'-dichlorodiphenyl ether by using microwaves | UNIV HUANGSHAN | 2015-12-30 | — | — | CN | disclosed |
| CN-103756939-B | Sporolactobacillus terrae and application thereof | UNIV SHANGHAI JIAOTONG | 2015-07-15 | — | — | CN | disclosed |
| CN-104628563-A | Synthetic process for preparing lactate from lactic acid | UNIV HUBEI | 2015-05-20 | — | — | CN | disclosed |
| CN-103756939-A | Sporolactobacillus terrae and application thereof | UNIV SHANGHAI JIAOTONG | 2014-04-30 | — | — | CN | disclosed |
| CN-102643841-B | Fenoxaprop-p-ethyl hydrolysis esterase gene, engineering bacteria containing such gene and application of fenoxaprop-p-ethyl hydrolysis esterase gene | UNIV NANJING AGRICULTURAL | 2013-02-20 | — | — | CN | disclosed |
| CN-1949966-B | Quinoxalin-2-one derivatives, crop protection agents comprising the same and method for production and use therof | BAYER CROPSCIENCE GMBH | 2010-05-26 | — | — | CN | disclosed |
| CN-1949966-A | Quinoxalin-2-one derivatives, crop protection agents comprising the same and method for production and use therof | BAYER CROPSCIENCE GMBH (DE) | 2007-04-18 | — | — | CN | disclosed |
| CN-1035287-A | The neighbour of weeding-methoxycarbonyl sulfonylurea | DU PONT (US) | 1989-09-06 | — | — | CN | disclosed |