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 | |
|---|---|---|---|---|
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.43 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.43 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | CCR1 | P32246 | 2/20 | 0.52 |
| ▸ | CCR5 | P51681 | 2/20 | 0.52 |
| ▸ | CCR8 | P51685 | 2/20 | 0.52 |
| ▸ | BLM | P54132 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | METAP1 | P53582 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.52 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.52 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
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 SCHEMBL26629019 | 0.98 | KDM4E (0.54) | KDM4ELMNACCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL4851013 | 0.98 | KDM4E (0.54) | KDM4ELMNACCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL28737994 | 0.96 | KDM4E (0.52) | KDM4ELMNACCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL28468816 | 0.96 | KDM4E (0.52) | KDM4ELMNACCR1CCR5CCR8 | |
| Water SCHEMBL28358727 | 0.96 | KDM4E (0.52) | KDM4ELMNACCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL28906349 | 0.96 | KDM4E (0.52) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL30031 | 0.96 | KDM4E (0.56) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL1652383 | 0.94 | KDM4E (0.54) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL15436287 | 0.94 | KDM4E (0.54) | KDM4ELMNACCR1CCR5CCR8 | |
| Hydrochloric Acid SCHEMBL932365 | 0.94 | KDM4E (0.54) | KDM4ELMNACCR1CCR5CCR8 |
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-111892489-B | Method for difluoroalkylation of deaminated fatty amine | 遵义医科大学 | 2022-11-18 | — | — | CN | claimed |
| CN-114315894-A | Chiral alpha-aryl phosphate, chiral alpha-aryl phosphine compound and synthesis thereof | 同济大学 | 2022-04-12 | — | — | CN | claimed |
| CN-114264710-A | Sensing electrode for detecting methylated RNA, portable sensing platform methylated RNA detection device and application thereof | 苏州科技大学 | 2022-04-01 | — | — | CN | claimed |
| CN-111892489-A | Method for difluoroalkylation of deaminated fatty amine | 遵义医科大学 | 2020-11-06 | — | — | CN | claimed |
| CN-114735764-B | Alpha-phase nickel hydroxide and preparation method and application thereof | 福州大学 | 2023-03-24 | — | — | CN | disclosed |
| CN-115557888-A | Method for preparing quinoline derivative by photocatalysis of N-aryl glycine ester | 安徽理工大学 | 2023-01-03 | — | — | CN | disclosed |
| CN-115368244-A | Synthetic method of 2-aryl-2- (4-aminophenyl) propane | 北京鼎材科技有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-111892489-B | Method for difluoroalkylation of deaminated fatty amine | 遵义医科大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-114315677-B | Method for preparing canthaxanthin through photocatalytic oxidation | 万华化学集团股份有限公司 | 2022-11-08 | — | — | CN | disclosed |
| CN-110372625-B | Method for preparing 4-alkyl methyl-4-aryl-1,3-benzoxazine-2 (4H) -ketone by blue light irradiation | 常州大学 | 2022-11-01 | — | — | CN | disclosed |
| CN-115043846-A | Preparation method of 2-oxoalkyl-9H-pyrrolo [1,2-a ] indole-9-ketone compound | 西北师范大学 | 2022-09-13 | — | — | CN | disclosed |
| CN-114870064-A | Photo-curing composite hydrogel containing contrast agent and preparation and use methods thereof | 上海玮沐医疗科技有限公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-113429961-A | Fluorescent probe, enhanced ratiometric fluorescence sensor, method and application | 西北农林科技大学 | 2021-09-24 | — | — | CN | disclosed |
| CN-112794810-B | Synthesis method of cyclobutylamine compound | 天津凯莱英制药有限公司 | 2021-07-16 | — | — | CN | disclosed |
| CN-109444403-B | Ru (bpy) -based32+Preparation method of/Zn-oxalate immunosensor | 济南大学 | 2021-07-06 | — | — | CN | disclosed |
| CN-112958096-A | Preparation method and application of flower-ball-shaped nickel-aluminum hydrotalcite/titanium dioxide in-situ growth flaky titanium tricarboxide composite photocatalyst | 常州大学 | 2021-06-15 | — | — | CN | disclosed |
| CN-112794810-A | Synthesis method of cyclobutylamine compound | 天津凯莱英制药有限公司 | 2021-05-14 | — | — | CN | disclosed |
| CN-111892489-A | Method for difluoroalkylation of deaminated fatty amine | 遵义医科大学 | 2020-11-06 | — | — | CN | disclosed |
| CN-108191651-B | Preparation method for synthesizing phenolic ester through thiocarboxylic acid mediated visible light catalytic phenol acylation reaction | 长治学院 | 2020-10-30 | — | — | CN | disclosed |
| CN-111689951-A | Synthesis method of 1-benzyl-3-alkyl quinoxaline-2 (1H) -ketone | 西北师范大学 | 2020-09-22 | — | — | CN | disclosed |