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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.41 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.41 |
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.41 |
| ▸ | GSK3A known ✓ | P49840 | 2/20 | 0.41 |
| ▸ | GSK3B known ✓ | P49841 | 2/20 | 0.41 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.41 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.39 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.37 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.36 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.36 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL28964119 | 1.00 | LMNA (0.52) | LMNAHTTSMN1; SMN2MAPTALOX15 | |
| SCHEMBL500715 | 0.95 | LMNA (0.56) | LMNAHTTSMN1; SMN2MAPTALOX15 | |
| SCHEMBL22360955 | 0.93 | LMNA (0.54) | LMNAHTTSMN1; SMN2MAPTALOX15 | |
| SCHEMBL29177706 | 0.83 | LMNA (0.46) | LMNAHTTSMN1; SMN2MAPTALOX15 | |
| Diphenylamine SCHEMBL11692790 | 0.83 | HSD17B10 (0.48) | LMNAHTTSMN1; SMN2MAPTALOX15 | |
| SCHEMBL17287226 | 0.83 | ALDH1A1 (0.54) | LMNAHTTSMN1; SMN2MAPTCLK4 | |
| SCHEMBL30302835 | 0.83 | LMNA (0.46) | LMNAHTTSMN1; SMN2MAPTALOX15 | |
| SCHEMBL30979146 | 0.81 | LMNA (0.44) | LMNAHTTSMN1; SMN2MAPTPTGS1 | |
| SCHEMBL2186555 | 0.81 | LMNA (0.44) | LMNAHTTSMN1; SMN2MAPTPTGS1 | |
| SCHEMBL2186549 | 0.81 | LMNA (0.44) | LMNAHTTSMN1; SMN2MAPTPTGS1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106883268-B | Based on phosphine oxygen, the triazines exciplex material of carbazole and its preparation method and application | 黑龙江大学 | 2019-04-26 | — | — | CN | claimed |
| CN-106905366-B | Triazines exciplex material based on phosphine oxygen and its preparation method and application | 黑龙江大学 | 2019-04-23 | — | — | CN | claimed |
| CN-106905366-A | Triazines exciplex material based on phosphine oxygen and its preparation method and application | 黑龙江大学 | 2017-06-30 | — | — | CN | claimed |
| CN-106883268-A | Based on phosphine oxygen, the triazines exciplex material of carbazole and its preparation method and application | 黑龙江大学 | 2017-06-23 | — | — | CN | claimed |
| CN-106883268-B | Based on phosphine oxygen, the triazines exciplex material of carbazole and its preparation method and application | 黑龙江大学 | 2019-04-26 | — | — | CN | disclosed |
| CN-106905366-B | Triazines exciplex material based on phosphine oxygen and its preparation method and application | 黑龙江大学 | 2019-04-23 | — | — | CN | disclosed |
| CN-106905366-A | Triazines exciplex material based on phosphine oxygen and its preparation method and application | 黑龙江大学 | 2017-06-30 | — | — | CN | disclosed |
| CN-106883268-A | Based on phosphine oxygen, the triazines exciplex material of carbazole and its preparation method and application | 黑龙江大学 | 2017-06-23 | — | — | CN | disclosed |