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 | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 5/20 | 0.67 |
| ▸ | PNMT | P11086 | 1/20 | 0.64 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.64 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.56 |
| ▸ | NOS1 | P29475 | 6/20 | 0.54 |
| ▸ | NOS2 | P35228 | 6/20 | 0.54 |
| ▸ | NOS3 | P29474 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.46 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL36008 | 0.97 | LOXL2 (0.71) | LOXL2PNMTENPP2PRMT6NOS1 | |
| SCHEMBL10422276 | 0.97 | LOXL2 (0.71) | LOXL2PNMTENPP2PRMT6NOS1 | |
| Bromide SCHEMBL28362115 | 0.94 | LOXL2 (0.67) | LOXL2PNMTENPP2PRMT6NOS1 | |
| Iodide SCHEMBL29198612 | 0.94 | LOXL2 (0.67) | LOXL2PNMTENPP2PRMT6NOS1 | |
| SCHEMBL29013584 | 0.94 | LOXL2 (0.67) | LOXL2PNMTENPP2PRMT6NOS1 | |
| Ammonia Solution, Strong SCHEMBL6899866 | 0.94 | LOXL2 (0.67) | LOXL2PNMTENPP2PRMT6NOS1 | |
| Hydrochloric Acid SCHEMBL6018896 | 0.94 | LOXL2 (0.67) | LOXL2PNMTENPP2PRMT6NOS1 | |
| SCHEMBL7883952 | 0.94 | LOXL2 (0.67) | LOXL2PNMTENPP2PRMT6NOS1 | |
| Hydrochloric Acid SCHEMBL8195914 | 0.94 | LOXL2 (0.67) | LOXL2PNMTENPP2PRMT6NOS1 | |
| SCHEMBL29013565 | 0.94 | LOXL2 (0.67) | LOXL2PNMTENPP2PRMT6NOS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112662218-A | Latent active filler composition, solvent-free high-temperature-resistant and permeation-resistant liquid polymer coating material, coating and preparation method thereof | 大庆庆鲁朗润科技有限公司 | 2021-04-16 | — | — | CN | claimed |
| CN-112662218-B | Latent active filler composition, solvent-free high-temperature-resistant and permeation-resistant liquid polymer coating material, coating and preparation method thereof | 大庆庆鲁朗润科技有限公司 | 2022-05-03 | — | — | CN | disclosed |
| CN-112662218-A | Latent active filler composition, solvent-free high-temperature-resistant and permeation-resistant liquid polymer coating material, coating and preparation method thereof | 大庆庆鲁朗润科技有限公司 | 2021-04-16 | — | — | CN | disclosed |