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 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 6/20 | 0.96 |
| ▸ | RAB9A | P51151 | 6/20 | 0.96 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.96 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.96 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.96 |
| ▸ | MAPT | P10636 | 4/20 | 0.96 |
| ▸ | LMNA | P02545 | 2/20 | 0.96 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.96 |
| ▸ | ELANE | P08246 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 2/20 | 0.51 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.51 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.51 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | ATG4B | Q9Y4P1 | 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 | |
|---|---|---|---|---|
| SCHEMBL29352712 | 0.98 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL36840 | 0.98 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1 | |
| Anthraquinone SCHEMBL6310187 | 0.98 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL7318179 | 0.96 | NPC1 (0.96) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL27590795 | 0.96 | NPC1 (0.96) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1 | |
| 9,10-Phenanthrenequinone SCHEMBL6059381 | 0.94 | NPC1 (0.92) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1 | |
| Formaldehyde SCHEMBL28131826 | 0.94 | NPC1 (0.92) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL8670753 | 0.92 | MAPT (0.89) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL11881427 | 0.92 | SMN1; SMN2 (0.88) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL19396241 | 0.92 | SMN1; SMN2 (0.88) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1 |
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-104178019-B | A kind of pottery photocureable coating | 苏州圣谱拉新材料科技有限公司 | 2016-08-17 | — | — | CN | claimed |
| CN-104178019-B | A kind of pottery photocureable coating | 苏州圣谱拉新材料科技有限公司 | 2016-08-17 | — | — | CN | disclosed |