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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.41 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.41 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 9/20 | 0.40 |
| ▸ | CA2 | P00918 | 9/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | CTH | P32929 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10988936 | 0.97 | LMNA (0.44) | LMNALDHASRRALKBH5SUCNR1 | |
| SCHEMBL163217 | 0.97 | LMNA (0.44) | LMNALDHASRRALKBH5SUCNR1 | |
| SCHEMBL1355987 | 0.93 | LMNA (0.41) | LMNALDHASRRALKBH5SUCNR1 | |
| SCHEMBL1134677 | 0.93 | LMNA (0.41) | LMNALDHASRRALKBH5SUCNR1 | |
| SCHEMBL1644077 | 0.93 | LMNA (0.41) | LMNALDHASRRALKBH5SUCNR1 | |
| SCHEMBL18160753 | 0.93 | LMNA (0.41) | LMNALDHASRRALKBH5SUCNR1 | |
| SCHEMBL1684976 | 0.93 | LMNA (0.41) | LMNALDHASRRALKBH5SUCNR1 | |
| SCHEMBL6343644 | 0.93 | LMNA (0.41) | LMNALDHASRRALKBH5SUCNR1 | |
| Water SCHEMBL11785760 | 0.86 | LMNA (0.47) | LMNALDHASRRALKBH5SUCNR1 | |
| Water SCHEMBL11785766 | 0.86 | LMNA (0.47) | LMNALDHASRRALKBH5SUCNR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1434735-A1 | STABILIZED HYDROXYLAMINE SOLUTIONS | BASF Aktiengesellschaft (DE) | 2004-07-07 | — | — | EP | claimed |
| WO-2003031330-A1 | STABILIZED HYDROXYLAMINE SOLUTIONS | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-17 | — | — | WO | claimed |
| US-7524989-B2 | Stabilized hydroxylamine solutions | BASF AKTIENGESELLSCHAFT (DE) | 2009-04-28 | — | — | US | disclosed |
| EP-1434735-B1 | STABILIZED HYDROXYLAMINE SOLUTIONS | BASF AG (DE) | 2006-10-25 | — | — | EP | disclosed |
| EP-1434735-A1 | STABILIZED HYDROXYLAMINE SOLUTIONS | BASF Aktiengesellschaft (DE) | 2004-07-07 | — | — | EP | disclosed |
| WO-2003031330-A1 | STABILIZED HYDROXYLAMINE SOLUTIONS | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-17 | — | — | WO | disclosed |