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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 19/20 | 0.65 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.53 |
| ▸ | MET known ✓ | P08581 | 1/20 | 0.53 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.53 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.53 |
| ▸ | BTK known ✓ | Q06187 | 1/20 | 0.53 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.53 |
| ▸ | INSR | P06213 | 1/20 | 0.56 |
| ▸ | IGF1R | P08069 | 1/20 | 0.56 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.56 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.53 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.53 |
| ▸ | RET | P07949 | 1/20 | 0.53 |
| ▸ | ROS1 | P08922 | 1/20 | 0.53 |
| ▸ | PIM1 | P11309 | 1/20 | 0.53 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.53 |
| ▸ | FER | P16591 | 1/20 | 0.53 |
| ▸ | EPHA1 | P21709 | 1/20 | 0.53 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28998107 | 0.99 | EGFR (0.66) | EGFRINSRIGF1RALKCHEK1 | |
| Water SCHEMBL30286116 | 0.88 | EGFR (0.64) | EGFRINSRIGF1RALKCHEK1 | |
| Water SCHEMBL28998109 | 0.88 | EGFR (0.64) | EGFRINSRIGF1RALKCHEK1 | |
| SCHEMBL25449097 | 0.88 | EGFR (0.67) | EGFRINSRIGF1RALKCHEK1 | |
| SCHEMBL30216900 | 0.88 | EGFR (0.67) | EGFRINSRIGF1RALKCHEK1 | |
| SCHEMBL30216897 | 0.88 | EGFR (0.69) | EGFRINSRIGF1RALKCHEK1 | |
| SCHEMBL28998102 | 0.87 | EGFR (0.65) | EGFRINSRIGF1RALKCHEK1 | |
| SCHEMBL30286089 | 0.87 | EGFR (0.65) | EGFRINSRIGF1RALKCHEK1 | |
| SCHEMBL24179047 | 0.86 | EGFR (0.65) | EGFRINSRIGF1RALKCHEK1 | |
| Water SCHEMBL28998104 | 0.86 | EGFR (0.77) | EGFRINSRIGF1RALK |
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-115716850-A | Crystal form, preparation method and application of aryl phosphorus oxide compound | 成都地奥九泓制药厂 | 2023-02-28 | — | — | CN | claimed |
| CN-115716850-A | Crystal form, preparation method and application of aryl phosphorus oxide compound | 成都地奥九泓制药厂 | 2023-02-28 | — | — | CN | disclosed |