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 | 3/20 | 0.47 |
| ▸ | ESR1 known ✓ | P03372 | 3/20 | 0.47 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.47 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.35 |
| ▸ | SCN9A known ✓ | Q15858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28963365 | 0.97 | KMT2A (0.49) | KMT2AGAAMEN1ESR1ESR2 | |
| SCHEMBL28869945 | 0.76 | ALPL (0.50) | KMT2AGAAMEN1ESR1ESR2 | |
| Water SCHEMBL12275143 | 0.74 | AURKB (0.60) | KMT2AMEN1NR4A1AURKAAURKB | |
| SCHEMBL11577305 | 0.74 | HTR6 (0.53) | KMT2AGAAMEN1ESR1ESR2 | |
| SCHEMBL10881406 | 0.73 | KMT2A (0.59) | KMT2AGAAMEN1ESR1ESR2 | |
| Water SCHEMBL12275144 | 0.73 | NR4A1 (0.60) | KMT2AMEN1NR4A1AURKAAURKB | |
| SCHEMBL1366830 | 0.73 | AURKB (0.62) | KMT2AMEN1NR4A1AURKAAURKB | |
| SCHEMBL6099899 | 0.72 | HTR6 (0.54) | KMT2AGAAMEN1ESR1ESR2 | |
| Lithium Ion SCHEMBL155096 | 0.72 | NR4A1 (0.61) | KMT2AMEN1NR4A1AURKAAURKB | |
| SCHEMBL31709341 | 0.72 | NR4A1 (0.61) | KMT2AMEN1NR4A1AURKAAURKB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115612403-B | Self-assembled strong-adhesion copolymer film, coating method and application | 中国科学院天津工业生物技术研究所 | 2023-12-01 | — | — | CN | claimed |
| CN-115612403-A | Self-assembly strong-adhesion copolymer film, film coating method and application | 中国科学院天津工业生物技术研究所 | 2023-01-17 | — | — | CN | claimed |
| CN-115612403-B | Self-assembled strong-adhesion copolymer film, coating method and application | 中国科学院天津工业生物技术研究所 | 2023-12-01 | — | — | CN | disclosed |
| CN-115612403-A | Self-assembly strong-adhesion copolymer film, film coating method and application | 中国科学院天津工业生物技术研究所 | 2023-01-17 | — | — | CN | disclosed |