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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CTH | P32929 | 1/20 | 0.33 |
| ▸ | CBS | P35520 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 SCHEMBL11782796 | 1.00 | TDP1 (0.39) | TDP1SMN1; SMN2SLC22A6TSHRCTH | |
| SCHEMBL616354 | 0.98 | TDP1 (0.40) | TDP1SMN1; SMN2SLC22A6TSHRCTH | |
| SCHEMBL11687100 | 0.98 | TDP1 (0.40) | TDP1SMN1; SMN2SLC22A6TSHRCTH | |
| SCHEMBL11687090 | 0.98 | TDP1 (0.40) | TDP1SMN1; SMN2SLC22A6TSHRCTH | |
| SCHEMBL5681308 | 0.98 | TDP1 (0.40) | TDP1SMN1; SMN2SLC22A6TSHRCTH | |
| SCHEMBL11140412 | 0.95 | TDP1 (0.39) | TDP1SMN1; SMN2SLC22A6TSHRCTH | |
| SCHEMBL11143922 | 0.95 | TDP1 (0.39) | TDP1SMN1; SMN2SLC22A6TSHRCTH | |
| Water SCHEMBL11412260 | 0.95 | TDP1 (0.39) | TDP1SMN1; SMN2SLC22A6TSHRCTH | |
| SCHEMBL38290 | 0.95 | TDP1 (0.42) | TDP1SMN1; SMN2SLC22A6TSHRCTH | |
| Ammonia Solution, Strong SCHEMBL11291766 | 0.93 | TDP1 (0.46) | TDP1SMN1; SMN2SLC22A6TSHRCTH |
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 |
|---|---|---|---|---|---|---|---|
| US-4170607-A | Carboxymethyloxysuccinic anhydrides, halides and derivatives thereof | LEVER BROTHERS COMPANY (US) | 1979-10-09 | — | — | US | disclosed |
| US-4169842-A | CARBOXYMETHYLOXYSUCCINIC ANHYDRIDE AND ACID HALIDE THEREOF | LEVER BROTHERS COMPANY (US) | 1979-10-02 | — | — | US | disclosed |
| US-4169957-A | AMIDES OF CARBOXYMETHYLOXYSUCCINIC ACID | LEVER BROTHERS COMPANY (US) | 1979-10-02 | — | — | US | disclosed |
| US-4167524-A | FOOD FLAVORINGS, DETERGENT BUILDERS, SURFACTANTS, LUBRICATNS, COATINGS, SIZING AGENTS, FUEL ADDITIVES | LEVER BROTHERS COMPANY (US) | 1979-09-11 | — | — | US | disclosed |
| US-4167523-A | FLAVORS, FUEL ADDITIVES, LUBRICANTS, SURFACTANTS, BUILDERS, COATINGS | LEVER BROTHERS COMPANY (US) | 1979-09-11 | — | — | US | disclosed |
| US-4137409-A | Morpholino carboxymethyloxysuccinic anhydrides, halides and derivatives thereof | LEVER BROTHERS COMPANY (US) | 1979-01-30 | — | — | US | disclosed |
| US-4093634-A | Anhydrides of carboxymethyloxysuccinic acid | LEVER BROTHERS COMPANY (US) | 1978-06-06 | — | — | US | disclosed |
| US-3990983-A | CHLORINATED TRISODIUM PHOSPHATE, TRISODIUM CARBOXYMETHYLOXYSUCCINATE, SODIUM SULFATE, SODIUM SILICATE | LEVER BROTHERS COMPANY (US) | 1976-11-09 | — | — | US | disclosed |