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 | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 3/20 | 0.44 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.41 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.37 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.37 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.41 |
| ▸ | TYR | P14679 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10793095 | 0.97 | — | — | |
| Bromide SCHEMBL4584444 | 0.94 | ALOX5 (0.44) | ALOX5HSD17B10ALDH1A1CA12CA2 | |
| Bromide SCHEMBL28524370 | 0.94 | ALOX5 (0.44) | ALOX5HSD17B10ALDH1A1CA12CA2 | |
| Biphenyl SCHEMBL27639430 | 0.84 | ALOX5 (0.56) | ALOX5HSD17B10ALDH1A1ALOX15LMNA | |
| Water SCHEMBL27732048 | 0.79 | ALOX5 (0.57) | ALOX5HSD17B10ALDH1A1CA12CA2 | |
| Chloroacetic Acid SCHEMBL11577602 | 0.79 | CA2 (0.44) | ALOX5HSD17B10ALDH1A1CA12CA2 | |
| SCHEMBL33527 | 0.76 | — | — | |
| SCHEMBL29829218 | 0.76 | — | — | |
| SCHEMBL4862349 | 0.76 | ALOX5 (0.60) | ALOX5HSD17B10ALDH1A1CA12CA2 | |
| SCHEMBL19119600 | 0.74 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996007707-A1 | EPOXY RESIN POWDER COATING COMPOSITION | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1996-03-14 | — | — | WO | claimed |
| US-4171420-A | Latent catalysts for promoting reaction of epoxides with phenols and/or carboxylic acids | THE DOW CHEMICAL COMPANY (US) | 1979-10-16 | — | — | US | claimed |
| US-4132706-A | TRISUBSTITUTED (2,5-DIHYDROXYPHENYL)PHOSPHONIUM HYDROXIDE INNER SALTS | THE DOW CHEMICAL COMPANY (US) | 1979-01-02 | — | — | US | claimed |
| EP-4130086-A1 | EPOXY RESIN AND RAW MATERIAL COMPOSITION THEREOF AND PREPARATION METHOD THEREFOR | Chanda Chemical Corp. (TW) | 2023-02-08 | — | — | EP | disclosed |
| US-20210380756-A1 | Thermoset epoxy resin, its preparing composition and making process thereof | CHANDA CHEMICAL CORP. (TW) | 2021-12-09 | — | — | US | disclosed |
| US-5567782-A | ELASTIC ADHESIVE | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-10-22 | — | — | US | disclosed |
| WO-1996007707-A1 | EPOXY RESIN POWDER COATING COMPOSITION | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1996-03-14 | — | — | WO | disclosed |
| US-4980427-A | ALKENYLPHENOXY-TERMINATED POLYSILOXANE MODIFIERS | BASF AKTIENGESELLSCHAFT (DE) | 1990-12-25 | — | — | US | disclosed |
| US-4826929-A | ALKENYLPHENOXY-TERMINATED POLYSILOXANE MODIFIERS | BASF CORPORATION (US) | 1989-05-02 | — | — | US | disclosed |
| EP-0308812-A2 | Toughened bismaleimide resin systems | BASF Aktiengesellschaft (DE) | 1989-03-29 | — | — | EP | disclosed |
| US-4389520-A | FORMYLMETHYLENETRIPHENYLPHOSPHORANE, FORMYLMETHYL-TRIPHENYLPHOSPHONIUM HALIDE | CIBA-GEIGY CORPORATION (US) | 1983-06-21 | — | — | US | disclosed |
| US-4177216-A | POLYMERIZATION CATALYSTS | THE DOW CHEMICAL COMPANY (US) | 1979-12-04 | — | — | US | disclosed |
| US-4177216-A | POLYMERIZATION CATALYSTS | THE DOW CHEMICAL COMPANY (US) | 1979-12-04 | — | — | US | disclosed |
| US-4177216-A | POLYMERIZATION CATALYSTS | THE DOW CHEMICAL COMPANY (US) | 1979-12-04 | — | — | US | disclosed |
| US-4171420-A | Latent catalysts for promoting reaction of epoxides with phenols and/or carboxylic acids | THE DOW CHEMICAL COMPANY (US) | 1979-10-16 | — | — | US | disclosed |
| US-4171420-A | Latent catalysts for promoting reaction of epoxides with phenols and/or carboxylic acids | THE DOW CHEMICAL COMPANY (US) | 1979-10-16 | — | — | US | disclosed |
| US-4132706-A | TRISUBSTITUTED (2,5-DIHYDROXYPHENYL)PHOSPHONIUM HYDROXIDE INNER SALTS | THE DOW CHEMICAL COMPANY (US) | 1979-01-02 | — | — | US | disclosed |
| US-4132706-A | TRISUBSTITUTED (2,5-DIHYDROXYPHENYL)PHOSPHONIUM HYDROXIDE INNER SALTS | THE DOW CHEMICAL COMPANY (US) | 1979-01-02 | — | — | US | disclosed |