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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 12/20 | 0.96 |
| ▸ | CYP11B2 | P19099 | 11/20 | 0.96 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.96 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.68 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.65 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.65 |
| ▸ | QPCT | Q16769 | 1/20 | 0.65 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.65 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.65 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL171734 | 0.98 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6 | |
| SCHEMBL1024261 | 0.88 | CYP11B1 (0.84) | CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6 | |
| Hydrochloric Acid SCHEMBL1775141 | 0.86 | CYP11B1 (0.81) | CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6 | |
| SCHEMBL11701540 | 0.85 | CYP19A1 (0.74) | CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6 | |
| SCHEMBL306338 | 0.83 | CYP11B1 (0.73) | CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6 | |
| SCHEMBL2529997 | 0.82 | CYP11B1 (0.86) | CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6 | |
| SCHEMBL6057476 | 0.82 | CYP11B1 (0.75) | CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6 | |
| SCHEMBL15491160 | 0.82 | CYP11B1 (0.67) | CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6 | |
| SCHEMBL14647046 | 0.81 | CYP11B1 (0.71) | CYP11B1CYP11B2CYP19A1CYP1A2POLB | |
| SCHEMBL570342 | 0.81 | CYP11B1 (1.00) | CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108071452-A | Waste gas purification apparatus | 现代自动车株式会社 | 2018-05-25 | — | — | CN | disclosed |