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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.33 |
| ▸ | KDM4A | O75164 | 2/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.33 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.33 |
| ▸ | TET3 | O43151 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PGD | P52209 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL180343 | 0.97 | SMN1; SMN2 (0.57) | SMN1; SMN2SLC22A6GABRR1LMNAOR51E2 | |
| SCHEMBL1906818 | 0.95 | SMN1; SMN2 (0.55) | SMN1; SMN2SLC22A6GABRR1LMNAOR51E2 | |
| Ethylene SCHEMBL3909087 | 0.92 | SMN1; SMN2 (0.52) | SMN1; SMN2SLC22A6GABRR1LMNAOR51E2 | |
| Malic Acid SCHEMBL2538756 | 0.90 | SMN1; SMN2 (0.71) | SMN1; SMN2SLC22A6GABRR1LMNAOR51E2 | |
| SCHEMBL22833469 | 0.86 | SMN1; SMN2 (0.46) | SMN1; SMN2SLC22A6GABRR1LMNATDP1 | |
| Hydrochloric Acid SCHEMBL7208700 | 0.84 | SMN1; SMN2 (0.44) | SMN1; SMN2SLC22A6GABRR1LMNATDP1 | |
| SCHEMBL6314121 | 0.83 | SMN1; SMN2 (0.48) | SMN1; SMN2SLC22A6GABRR1LMNATDP1 | |
| SCHEMBL30167478 | 0.83 | SMN1; SMN2 (0.48) | SMN1; SMN2SLC22A6GABRR1LMNATDP1 | |
| SCHEMBL28091771 | 0.83 | SMN1; SMN2 (0.48) | SMN1; SMN2SLC22A6GABRR1LMNATDP1 | |
| Allyl Alcohol SCHEMBL9630023 | 0.83 | SMN1; SMN2 (0.43) | SMN1; SMN2SLC22A6GABRR1LMNAOR51E2 |
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-109096164-A | A kind of method of separating-purifying thiomalic acid | 三门峡恒生科技研发有限公司 | 2018-12-28 | — | — | CN | disclosed |
| CN-108569988-A | A kind of method of separating-purifying thiomalic acid | 三门峡恒生科技研发有限公司 | 2018-09-25 | — | — | CN | disclosed |
| US-4285870-A | Process for continuously separating phthalic anhydride from the reaction gases of the catalytic oxidation of o-xylene and/or naphthalene | DAVY INTERNATIONAL AKTIENGESELLSCHAFT (DE) | 1981-08-25 | — | — | US | disclosed |