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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.42 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.45 |
| ▸ | NOD1 | Q9Y239 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27574677 | 0.86 | ZDHHC7 (0.47) | ZDHHC7NOD1KMT2AACEGPR84 | |
| SCHEMBL27554867 | 0.86 | ZDHHC7 (0.47) | ZDHHC7NOD1KMT2AACEGPR84 | |
| SCHEMBL7739253 | 0.86 | ZDHHC7 (0.47) | ZDHHC7NOD1KMT2AACEGPR84 | |
| SCHEMBL27512521 | 0.86 | ZDHHC7 (0.47) | ZDHHC7NOD1KMT2AACEGPR84 | |
| SCHEMBL27534343 | 0.86 | ZDHHC7 (0.47) | ZDHHC7NOD1KMT2AACEGPR84 | |
| SCHEMBL11332462 | 0.85 | ZDHHC7 (0.46) | ZDHHC7NOD1KMT2AACEPOLB | |
| SCHEMBL15047716 | 0.84 | GPR84 (0.49) | ZDHHC7NOD1KMT2AACEGPR84 | |
| 1,6-Hexanediol SCHEMBL28962667 | 0.83 | KMT2A (0.43) | ZDHHC7NOD1KMT2AACEPOLB | |
| SCHEMBL7198069 | 0.81 | CPB2 (0.45) | NOD1KMT2AACEPOLB | |
| SCHEMBL5194277 | 0.81 | ZDHHC7 (0.49) | ZDHHC7NOD1KMT2AACEGPR84 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1068184-B1 | N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION | WYETH CORP (US) | 2002-09-04 | — | — | EP | disclosed |
| EP-1068184-A1 | N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-01-17 | — | — | EP | disclosed |
| US-6110956-A | ANTIDEPRESSANTS TREATING DISORDERS OF THE SEROTONIN-AFFECTED NEUROLOGICAL SYSTEMS | AMERICAN HOME PRODUCTS CORP. (US) | 2000-08-29 | — | — | US | disclosed |
| WO-1999051576-A1 | N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-10-14 | — | — | WO | disclosed |