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 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL285412 | 0.98 | KMT2A (0.50) | KMT2AMEN1L3MBTL1GLAALDH1A1 | |
| Potassium Ion SCHEMBL190393 | 0.94 | KMT2A (0.50) | KMT2AMEN1L3MBTL1GLAALDH1A1 | |
| SCHEMBL5492632 | 0.94 | KMT2A (0.50) | KMT2AMEN1L3MBTL1GLAALDH1A1 | |
| SCHEMBL29463334 | 0.89 | KMT2A (0.44) | KMT2AMEN1L3MBTL1GLAALDH1A1 | |
| SCHEMBL161682 | 0.86 | KEAP1 (0.48) | KMT2AMEN1L3MBTL1GLAALDH1A1 | |
| Water SCHEMBL9983319 | 0.85 | MAPT (0.40) | KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL30888463 | 0.85 | KEAP1 (0.47) | KMT2AMEN1L3MBTL1GLAKEAP1 | |
| SCHEMBL4455864 | 0.83 | ALOX15 (0.42) | KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E | |
| Potassium Ion SCHEMBL9673910 | 0.82 | KEAP1 (0.48) | KMT2AMEN1L3MBTL1GLAALDH1A1 | |
| SCHEMBL4022653 | 0.82 | KEAP1 (0.48) | KMT2AMEN1L3MBTL1GLAALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115337444-B | Preparation method of electronegative micromolecule-regulated procoagulant surface | 北京化工大学 | 2023-10-20 | — | — | CN | claimed |
| CN-115350330-A | Application of electronegative small molecule regulated surface in protein differential adhesion | 北京化工大学 | 2022-11-18 | — | — | CN | claimed |
| CN-115350330-B | Application of electronegative micromolecule regulated surface in protein differential adhesion | 北京化工大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-115418031-A | Preparation method and application of electronegative micromolecule/cationic polymer compounded protein differential adhesion material | 北京化工大学 | 2022-12-02 | — | — | CN | disclosed |
| CN-115350319-A | Preparation method of electronegative micromolecule-regulated cationic polymer-based hemostatic material | 北京化工大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-115350330-A | Application of electronegative small molecule regulated surface in protein differential adhesion | 北京化工大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-115337444-A | Preparation method of negative-charged small molecule regulated procoagulant surface | 北京化工大学 | 2022-11-15 | — | — | CN | disclosed |