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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 7/20 | 0.98 |
| ▸ | MEN1 known ✓ | O00255 | 5/20 | 0.96 |
| ▸ | THRB known ✓ | P10828 | 3/20 | 0.96 |
| ▸ | BCHE | P06276 | 4/20 | 0.98 |
| ▸ | BLM | P54132 | 5/20 | 0.96 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.96 |
| ▸ | MAPT | P10636 | 4/20 | 0.96 |
| ▸ | RECQL | P46063 | 4/20 | 0.96 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.96 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.96 |
| ▸ | HPGD | P15428 | 3/20 | 0.96 |
| ▸ | CASP1 | P29466 | 3/20 | 0.96 |
| ▸ | CASP7 | P55210 | 3/20 | 0.96 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.96 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.96 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.96 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.96 |
| ▸ | TERT | O14746 | 3/20 | 0.63 |
| ▸ | PABPC1 | P11940 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL29527724 | 0.99 | ACHE (1.00) | ACHEBCHEMEN1BLMKMT2A | |
| Iodide SCHEMBL29351886 | 0.99 | ACHE (1.00) | ACHEBCHEMEN1BLMKMT2A | |
| Iodide SCHEMBL14996 | 0.99 | ACHE (1.00) | ACHEBCHEMEN1BLMKMT2A | |
| SCHEMBL55279 | 0.98 | ACHE (1.00) | ACHEBCHEMEN1BLMKMT2A | |
| SCHEMBL30379131 | 0.98 | ACHE (1.00) | ACHEBCHEMEN1BLMKMT2A | |
| Hydrochloric Acid SCHEMBL5482694 | 0.97 | ACHE (0.98) | ACHEBCHEMEN1BLMKMT2A | |
| SCHEMBL16331307 | 0.97 | ACHE (0.98) | ACHEBCHEMEN1BLMKMT2A | |
| Bromide SCHEMBL30669741 | 0.97 | ACHE (0.98) | ACHEBCHEMEN1BLMKMT2A | |
| Bromide SCHEMBL290404 | 0.97 | ACHE (0.98) | ACHEBCHEMEN1BLMKMT2A | |
| Alcohol SCHEMBL15758944 | 0.96 | ACHE (0.94) | ACHEBCHEMEN1BLMKMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0527186-A4 | — | UNIV ILLINOIS (US) | 1995-01-18 | — | — | EP | claimed |
| EP-0527186-A1 | PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS | The Board of Trustees for the University of Illinois (US) | 1993-02-17 | — | — | EP | claimed |
| WO-1991016820-A1 | PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 1991-11-14 | — | — | WO | claimed |
| EP-0527186-A4 | — | UNIV ILLINOIS (US) | 1995-01-18 | — | — | EP | disclosed |
| US-5242892-A | With 5-aminolevulinic acid | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 1993-09-07 | — | — | US | disclosed |
| EP-0527186-A1 | PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS | The Board of Trustees for the University of Illinois (US) | 1993-02-17 | — | — | EP | disclosed |
| WO-1991016820-A1 | PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 1991-11-14 | — | — | WO | disclosed |