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 | 3/20 | 0.32 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.32 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.31 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.35 |
| ▸ | LMNA | P02545 | 7/20 | 0.33 |
| ▸ | TSHR | P16473 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL265213 | 0.98 | ALDH1A1 (0.58) | ALDH1A1KDM4ELMNATSHRMAPT | |
| SCHEMBL28161924 | 0.96 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNATSHRMAPT | |
| SCHEMBL28325677 | 0.96 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNATSHRMAPT | |
| SCHEMBL28217710 | 0.96 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNATSHRMAPT | |
| Ammonia Solution, Strong SCHEMBL28742522 | 0.96 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNATSHRMAPT | |
| Hydrochloric Acid SCHEMBL27491390 | 0.95 | ALDH1A1 (0.54) | ALDH1A1KDM4ELMNATSHRMAPT | |
| SCHEMBL27969401 | 0.93 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNATSHRMAPT | |
| SCHEMBL18407141 | 0.92 | ALDH1A1 (0.46) | ALDH1A1TSHR | |
| SCHEMBL24133948 | 0.90 | ALDH1A1 (0.48) | ALDH1A1KDM4ELMNATSHRMAPT | |
| Trimethylammonium SCHEMBL28033612 | 0.90 | ALDH1A1 (0.48) | ALDH1A1KDM4ELMNATSHRMAPT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1972361-A1 | Mild cleansing compositions with an encapsultated dye | Cognis IP Management GmbH (DE) | 2008-09-24 | — | — | EP | claimed |
| EP-1917954-B1 | Aqueous meta-stable oil-in-water emulsions | COGNIS IP MAN GMBH (DE) | 2018-02-21 | — | — | EP | disclosed |
| US-20170014315-A1 | META-STABLE O/W EMULSIONS | BASF SE (DE) | 2017-01-19 | — | — | US | disclosed |
| EP-3102176-A2 | META-STABLE O/W EMULSIONS | BASF SE (DE) | 2016-12-14 | — | — | EP | disclosed |
| WO-2015117841-A2 | META-STABLE O/W EMULSIONS | BASF SE (DE) | 2015-08-13 | — | — | WO | disclosed |
| US-20080233057-A1 | Anionic, nonionic, and/or amphoteric surfactants and mixtures; dye(s), and (micro)encapuslated dyes having a total color different from the other dyes; coacervation, precipitation; liquid soaps, hand-washing pastes, toothpastes, manual dishwashing preparations, and light-duty detergents | COGNIS IP MANAGEMENT GMBH (DE) | 2008-09-25 | — | — | US | disclosed |
| EP-1972361-A1 | Mild cleansing compositions with an encapsultated dye | Cognis IP Management GmbH (DE) | 2008-09-24 | — | — | EP | disclosed |
| EP-1917954-A1 | Aqueous meta-stable oil-in-water emulsions | Cognis IP Management GmbH (DE) | 2008-05-07 | — | — | EP | disclosed |
| WO-2008043470-A1 | AQUEOUS META-STABLE OIL-IN-WATER EMULSIONS | COGNIS IP MANAGEMENT GMBH (DE) | 2008-04-17 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080233057-A1 | Anionic, nonionic, and/or amphoteric surfactants and mixtures; dye(s), and (micro)encapuslated dyes having a total color different from the other dyes; coacervation, precipitation; liquid soaps, hand-washing pastes, toothpastes, manual dishwashing preparations, and light-duty detergents | S100P, PHOSPHO1, RAB5IF | MEN1 1268/4885ESR1 4638/4885ESR2 4625/4885 |
| US-20170014315-A1 | META-STABLE O/W EMULSIONS | CUTA, POLQ, MOGAT2 | MEN1 1914/4885ESR1 2973/4885ESR2 4163/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.