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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.48 |
| ▸ | OPRK1 known ✓ | P41145 | 4/20 | 0.48 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.48 |
| ▸ | DRD3 known ✓ | P35462 | 3/20 | 0.47 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.47 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.47 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.47 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.46 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ADH5 | P11766 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.45 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.45 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL9367478 | 1.00 | CYP4Z1 (0.58) | CYP4Z1MAPTL3MBTL1ADRB1OPRK1 | |
| SCHEMBL9364539 | 0.99 | CYP4Z1 (0.59) | CYP4Z1MAPTL3MBTL1ADRB1OPRK1 | |
| SCHEMBL9363661 | 0.84 | ALDH1A1 (0.58) | CYP4Z1MAPTL3MBTL1ADRB1DRD3 | |
| SCHEMBL8508590 | 0.84 | CYP4Z1 (0.65) | CYP4Z1MAPTL3MBTL1ADRB1DRD3 | |
| Hydrochloric Acid SCHEMBL9363955 | 0.83 | BLM (0.59) | CYP4Z1MAPTL3MBTL1ADRB1DRD3 | |
| SCHEMBL9364213 | 0.81 | CYP4Z1 (0.64) | CYP4Z1MAPTL3MBTL1ADRB1DRD3 | |
| SCHEMBL9363643 | 0.80 | DRD3 (0.51) | CYP4Z1MAPTL3MBTL1ADRB1DRD3 | |
| Hydrochloric Acid SCHEMBL9367421 | 0.80 | CYP4Z1 (0.63) | CYP4Z1MAPTL3MBTL1ADRB1DRD3 | |
| SCHEMBL10621481 | 0.78 | TMEM97 (0.59) | OPRK1OPRM1TMEM97SIGMAR1 | |
| SCHEMBL9364551 | 0.77 | MAPK1 (0.49) | CYP4Z1ADRB1DRD3DRD2ADRB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0290377-B1 | Substituted 4-[1H-Imidazol-1-yl] benzamides as antiarrhythmic agents | SCHERING AG (DE) | 1994-03-02 | — | — | EP | disclosed |
| US-4804662-A | Substituted 4-(1H-imidazol-1-yl)benzamides as antiarrhythmic agents | SCHERING A.G. (DE) | 1989-02-14 | — | — | US | disclosed |
| EP-0290377-A1 | Substituted 4-[1H-Imidazol-1-yl] benzamides as antiarrhythmic agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-11-09 | — | — | EP | disclosed |