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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 SCHEMBL4450529 | 0.94 | MEN1 (0.78) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL28560846 | 0.94 | MEN1 (0.78) | MEN1KMT2ACA5ACA5BTSHR | |
| Ammonia Solution, Strong SCHEMBL29286977 | 0.94 | MEN1 (0.60) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL708617 | 0.94 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL28398822 | 0.94 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL10896609 | 0.94 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL28478211 | 0.94 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| SCHEMBL27241848 | 0.94 | — | — | |
| Water SCHEMBL2590832 | 0.94 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL10566608 | 0.94 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117947461-A | Preparation method, structure and application of non-noble metal oxide modified ultra-fine noble metal nano particles synthesized by low-temperature heat treatment | 大连理工大学 | 2024-04-30 | — | — | CN | claimed |
| US-11266865-B2 | Decontamination compositions and methods of decontamination | BATTELLE MEMORIAL INSTITUTE (US) | 2022-03-08 | — | — | US | claimed |
| EP-3720573-A1 | DECONTAMINATION COMPOSITIONS AND METHODS OF DECONTAMINATION | Battelle Memorial Institute (US) | 2020-10-14 | — | — | EP | claimed |
| CN-111655343-A | Decontamination composition and decontamination method | 巴特尔纪念研究院 | 2020-09-11 | — | — | CN | claimed |
| WO-2019112571-A1 | DECONTAMINATION COMPOSITIONS AND METHODS OF DECONTAMINATION | BATTELLE MEMORIAL INSTITUTE (US) | 2019-06-13 | — | — | WO | claimed |
| US-20190168050-A1 | Decontamination Compositions and Methods of Decontamination | LION GROUP, INC. | 2019-06-06 | — | — | US | claimed |
| CN-117947461-A | Preparation method, structure and application of non-noble metal oxide modified ultra-fine noble metal nano particles synthesized by low-temperature heat treatment | 大连理工大学 | 2024-04-30 | — | — | CN | disclosed |
| CN-115942992-A | Method and catalyst for oxidative esterification with catalysts having high mechanical strength and chemical resistance | 陶氏环球技术有限责任公司 | 2023-04-07 | — | — | CN | disclosed |
| WO-2022065188-A1 | METHANE OXIDATION CATALYST, METHANE OXIDATION MULTILAYER CATALYST, EXHAUST GAS PURIFICATION SYSTEM USING SAID METHANE OXIDATION CATALYST OR SAID METHANE OXIDATION MULTILAYER CATALYST, AND METHOD FOR PRODUCING METHANE OXIDATION CATALYST | エヌ・イーケムキャット株式会社 | 2022-03-31 | — | — | WO | disclosed |
| US-11266865-B2 | Decontamination compositions and methods of decontamination | BATTELLE MEMORIAL INSTITUTE (US) | 2022-03-08 | — | — | US | disclosed |
| EP-3720573-A1 | DECONTAMINATION COMPOSITIONS AND METHODS OF DECONTAMINATION | Battelle Memorial Institute (US) | 2020-10-14 | — | — | EP | disclosed |
| CN-111655343-A | Decontamination composition and decontamination method | 巴特尔纪念研究院 | 2020-09-11 | — | — | CN | disclosed |
| WO-2019112571-A1 | DECONTAMINATION COMPOSITIONS AND METHODS OF DECONTAMINATION | BATTELLE MEMORIAL INSTITUTE (US) | 2019-06-13 | — | — | WO | disclosed |
| US-20190168050-A1 | Decontamination Compositions and Methods of Decontamination | LION GROUP, INC. | 2019-06-06 | — | — | US | disclosed |