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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.33 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.33 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | BBOX1 | O75936 | 3/20 | 0.35 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.35 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 6/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL27498653 | 0.73 | ALDH1A1 (0.37) | TDP1ALDH1A1BBOX1EHMT2EHMT1 | |
| SCHEMBL7693882 | 0.69 | — | — | |
| SCHEMBL16266055 | 0.67 | BBOX1 (0.41) | TDP1ALDH1A1BBOX1EHMT2EHMT1 | |
| SCHEMBL339826 | 0.67 | BBOX1 (0.41) | TDP1ALDH1A1BBOX1EHMT2EHMT1 | |
| Water SCHEMBL27528909 | 0.67 | BBOX1 (0.38) | TDP1ALDH1A1BBOX1EHMT2EHMT1 | |
| Water SCHEMBL27620053 | 0.67 | TSHR (0.37) | TDP1ALDH1A1BBOX1EHMT2EHMT1 | |
| Water SCHEMBL28035680 | 0.67 | TSHR (0.37) | TDP1ALDH1A1BBOX1EHMT2EHMT1 | |
| Water SCHEMBL27726941 | 0.67 | TDP1 (0.37) | TDP1ALDH1A1BBOX1EHMT2EHMT1 | |
| Water SCHEMBL27967120 | 0.67 | BBOX1 (0.35) | TDP1ALDH1A1BBOX1EHMT2EHMT1 | |
| Water SCHEMBL27603313 | 0.67 | BBOX1 (0.35) | TDP1ALDH1A1BBOX1EHMT2EHMT1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104927755-A | Normal-temperature solidification instant-high-temperature-resistant high-flexibility epoxy adhesive and preparing method thereof | INST PETROCHEMISTRY HEILONGJIANG ACADEMY OF SCIENCES | 2015-09-23 | — | — | CN | claimed |
| CN-102516000-B | Method for synthesizing aryl trifluoromethyl sulphydryl compound | SHANGHAI INST ORGANIC CHEM | 2014-07-23 | — | — | CN | claimed |
| CN-102627927-B | Medium temperature curing high temperature resistant phenolic adhesive | INST PETROCHEMISTRY HEILONGJIANG ACADEMY OF SCIENCE | 2013-12-04 | — | — | CN | claimed |
| CN-102627927-A | Medium temperature curing high temperature resistant phenolic adhesive | INST PETROCHEMISTRY HEILONGJIANG ACADEMY OF SCIENCE | 2012-08-08 | — | — | CN | claimed |
| CN-101921565-A | Preparation method of solvent-free and high temperature-resistant adhesive | INST PETROCHEMISTRY HEILONGJIANG ACADEMY OF SCIENCE | 2010-12-22 | — | — | CN | claimed |
| CN-104927755-A | Normal-temperature solidification instant-high-temperature-resistant high-flexibility epoxy adhesive and preparing method thereof | INST PETROCHEMISTRY HEILONGJIANG ACADEMY OF SCIENCES | 2015-09-23 | — | — | CN | disclosed |
| CN-102516000-B | Method for synthesizing aryl trifluoromethyl sulphydryl compound | SHANGHAI INST ORGANIC CHEM | 2014-07-23 | — | — | CN | disclosed |
| CN-102627927-B | Medium temperature curing high temperature resistant phenolic adhesive | INST PETROCHEMISTRY HEILONGJIANG ACADEMY OF SCIENCE | 2013-12-04 | — | — | CN | disclosed |
| CN-101921565-B | Preparation method of solvent-free and high temperature-resistant adhesive | INST PETROCHEMISTRY HEILONGJIANG ACADEMY OF SCIENCE | 2013-02-27 | — | — | CN | disclosed |
| CN-102627927-A | Medium temperature curing high temperature resistant phenolic adhesive | INST PETROCHEMISTRY HEILONGJIANG ACADEMY OF SCIENCE | 2012-08-08 | — | — | CN | disclosed |
| CN-101921565-A | Preparation method of solvent-free and high temperature-resistant adhesive | INST PETROCHEMISTRY HEILONGJIANG ACADEMY OF SCIENCE | 2010-12-22 | — | — | CN | disclosed |