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 | 4/20 | 0.41 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.36 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.36 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.36 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.36 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.36 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.36 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.36 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3504242 | 0.97 | CASP1 (0.48) | CASP1TSHRPOLBGAAGLA | |
| SCHEMBL5983366 | 0.97 | CASP1 (0.52) | CASP1TSHRPOLBGAAGLA | |
| SCHEMBL21372 | 0.97 | CASP1 (0.52) | CASP1TSHRPOLBGAAGLA | |
| SCHEMBL4339277 | 0.94 | CASP1 (0.50) | CASP1TSHRPOLBGAAGLA | |
| Hydrochloric Acid SCHEMBL592948 | 0.94 | CASP1 (0.50) | CASP1TSHRPOLBGAAGLA | |
| Hydrochloric Acid SCHEMBL992773 | 0.94 | CASP1 (0.50) | CASP1TSHRPOLBGAAGLA | |
| SCHEMBL5065507 | 0.94 | CASP1 (0.50) | CASP1TSHRPOLBGAAGLA | |
| Hydrochloric Acid SCHEMBL134928 | 0.94 | CASP1 (0.50) | CASP1TSHRPOLBGAAGLA | |
| SCHEMBL9451786 | 0.94 | CASP1 (0.50) | CASP1TSHRPOLBGAAGLA | |
| Hydrochloric Acid SCHEMBL999546 | 0.94 | CASP1 (0.50) | CASP1TSHRPOLBGAAGLA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1318203-A2 | Method for the amplification of nucleic acids based on elongation and displacement | BIOMERIEUX (FR) | 2003-06-11 | — | — | EP | disclosed |
| EP-0713922-B1 | Oligonucleotide usable as a primer in a method of amplification based on a replication with strand displacement | BIO MERIEUX (FR) | 1999-09-08 | — | — | EP | disclosed |
| EP-0713922-A1 | Oligonucleotide usable as a primer in a method of amplification based on a replication with strand displacement | BIO MERIEUX, Société anonyme (FR) | 1996-05-29 | — | — | EP | disclosed |
| EP-0662155-A1 | METHOD FOR NUCLEIC ACID AMPLIFICATION BY TRANSCRIPTION USING DISPLACEMENT, AND REAGENTS AND KIT THEREFOR | BIO MERIEUX (FR) | 1995-07-12 | — | — | EP | disclosed |
| WO-1995003426-A2 | METHOD FOR NUCLEIC ACID AMPLIFICATION BY TRANSCRIPTION USING DISPLACEMENT, AND REAGENTS AND KIT THEREFOR | BIO MERIEUX (FR) | 1995-02-02 | — | — | WO | disclosed |