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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.70 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.59 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 5/20 | 0.55 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.52 |
| ▸ | SCN8A known ✓ | Q9UQD0 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.70 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MPO | P05164 | 1/20 | 0.48 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL141336 | 0.98 | MEN1 (0.73) | MEN1KMT2ATDP1MAOAMAPT | |
| Hydrochloric Acid SCHEMBL3652780 | 0.95 | MEN1 (0.70) | MEN1KMT2ATDP1MAOAMAPT | |
| Bromide SCHEMBL11844507 | 0.95 | MEN1 (0.70) | MEN1KMT2ATDP1MAOAMAPT | |
| Dimethylamine SCHEMBL5605213 | 0.93 | MEN1 (0.67) | MEN1KMT2ATDP1MAOAMAPT | |
| Alcohol SCHEMBL3403183 | 0.91 | MEN1 (0.64) | MEN1KMT2ATDP1MAOAMAPT | |
| SCHEMBL11600696 | 0.91 | MEN1 (0.62) | MEN1KMT2ATDP1MAOAMAPT | |
| Water SCHEMBL28180553 | 0.87 | MAOA (0.69) | MEN1KMT2ATDP1MAOAMAPT | |
| SCHEMBL8749866 | 0.86 | MEN1 (0.57) | MEN1KMT2ATDP1MAOAMAPT | |
| Water SCHEMBL4230715 | 0.85 | MEN1 (0.94) | MEN1KMT2ATDP1MAOAMAPT | |
| SCHEMBL12655414 | 0.85 | HRH4 (0.63) | MEN1KMT2ATDP1MAOAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105524549-A | ACTIVATION ENERGY RADIATION-CURABLE SILICONE COATING COMPOSITION AND COATED ARTICLE | SHINETSU CHEMICAL CO | 2016-04-27 | — | — | CN | disclosed |
| CN-105308135-A | Silicone coating composition and coated article | SHINETSU CHEMICAL CO | 2016-02-03 | — | — | CN | disclosed |