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 | 0.38 |
| ▸ | KIT known ✓ | P10721 | 2/20 | 0.32 |
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.32 |
| ▸ | FLT3 known ✓ | P36888 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28335260 | 0.98 | ALDH1A1 (0.43) | TDP1CYP3A4ALDH1A1TP53HSD17B10 | |
| Hydrochloric Acid SCHEMBL3504243 | 0.98 | ALDH1A1 (0.43) | TDP1CYP3A4ALDH1A1TP53HSD17B10 | |
| Hydrochloric Acid SCHEMBL28663126 | 0.98 | ALDH1A1 (0.43) | TDP1CYP3A4ALDH1A1TP53HSD17B10 | |
| SCHEMBL21373 | 0.98 | TDP1 (0.48) | TDP1CYP3A4ALDH1A1TP53HSD17B10 | |
| SCHEMBL30272720 | 0.98 | TDP1 (0.48) | TDP1CYP3A4ALDH1A1TP53HSD17B10 | |
| SCHEMBL5983370 | 0.98 | TDP1 (0.48) | TDP1CYP3A4ALDH1A1TP53HSD17B10 | |
| Hydrochloric Acid SCHEMBL992776 | 0.95 | CYP3A4 (0.46) | TDP1CYP3A4ALDH1A1TP53HSD17B10 | |
| Hydrochloric Acid SCHEMBL134929 | 0.95 | CYP3A4 (0.46) | TDP1CYP3A4ALDH1A1TP53HSD17B10 | |
| SCHEMBL3507048 | 0.95 | TDP1 (0.46) | TDP1CYP3A4ALDH1A1TP53HSD17B10 | |
| Hydrochloric Acid SCHEMBL999548 | 0.95 | CYP3A4 (0.46) | TDP1CYP3A4ALDH1A1TP53HSD17B10 |
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 |