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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ASPH | Q12797 | 1/20 | 0.31 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL132690 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL672022 | 0.94 | NAPRT (0.32) | NAPRTKDM4EASPHKDM8 | |
| SCHEMBL9515703 | 0.94 | NAPRT (0.32) | NAPRTKDM4EASPHKDM8 | |
| Hydrochloric Acid SCHEMBL1021971 | 0.94 | NAPRT (0.32) | NAPRTKDM4EASPHKDM8 | |
| SCHEMBL1300770 | 0.84 | NAPRT (0.31) | NAPRTKDM4EASPHKDM8 | |
| Ether SCHEMBL8567683 | 0.80 | HPGD (0.32) | — | |
| SCHEMBL5178519 | 0.72 | — | — | |
| SCHEMBL12498325 | 0.70 | EGLN2 (0.36) | KDM4E | |
| SCHEMBL6029056 | 0.70 | SMN1; SMN2 (0.38) | KDM4E | |
| SCHEMBL19745530 | 0.70 | EGLN2 (0.41) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0871628-A1 | QUINOLIZINONE TYPE COMPOUNDS | Abbott Laboratories (US) | 1998-10-21 | — | — | EP | disclosed |
| US-5726182-A | TREATMENT OF BACTERIAL INFECTIONS | ABBOTT LABORATORIES (US) | 1998-03-10 | — | — | US | disclosed |
| US-5599816-A | BACTERICIDE | ABBOTT LABORATORIES (US) | 1997-02-04 | — | — | US | disclosed |
| WO-1996039407-A1 | QUINOLIZINONE TYPE COMPOUNDS | ABBOTT LABORATORIES (US) | 1996-12-12 | — | — | WO | disclosed |
| US-5580872-A | ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS | ABBOTT LABORATORIES (US) | 1996-12-03 | — | — | US | disclosed |
| EP-0723545-A1 | QUINOLIZINONE TYPE COMPOUNDS | ABBOTT LABORATORIES (US) | 1996-07-31 | — | — | EP | disclosed |
| WO-1995010519-A1 | QUINOLIZINONE TYPE COMPOUNDS | ABBOTT LABORATORIES (US) | 1995-04-20 | — | — | WO | disclosed |