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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.57 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.54 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | GAA | P10253 | 2/20 | 0.66 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.63 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.63 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | MMP3 | P08254 | 1/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.55 |
| ▸ | CDC25B | P30305 | 1/20 | 0.55 |
| ▸ | PLK1 | P53350 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL43084 | 0.98 | KDM4E (0.68) | KDM4EALDH1A1GAANR4A1NR4A2 | |
| SCHEMBL29381201 | 0.98 | KDM4E (0.68) | KDM4EALDH1A1GAANR4A1NR4A2 | |
| Hydrochloric Acid SCHEMBL3149083 | 0.96 | KDM4E (0.66) | KDM4EALDH1A1GAANR4A1NR4A2 | |
| SCHEMBL29070800 | 0.96 | KDM4E (0.66) | KDM4EALDH1A1GAANR4A1NR4A2 | |
| Hydrochloric Acid SCHEMBL30753709 | 0.96 | KDM4E (0.66) | KDM4EALDH1A1GAANR4A1NR4A2 | |
| SCHEMBL18859030 | 0.96 | KDM4E (0.66) | KDM4EALDH1A1GAANR4A1NR4A2 | |
| SCHEMBL14837757 | 0.96 | KDM4E (0.66) | KDM4EALDH1A1GAANR4A1NR4A2 | |
| SCHEMBL18859029 | 0.96 | KDM4E (0.66) | KDM4EALDH1A1GAANR4A1NR4A2 | |
| Potassium SCHEMBL29689182 | 0.96 | KDM4E (0.66) | KDM4EALDH1A1GAANR4A1NR4A2 | |
| SCHEMBL9011545 | 0.96 | KDM4E (0.66) | KDM4EALDH1A1GAANR4A1NR4A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1324736-B1 | RAPID ANTIBIOTIC SUSCEPTIBILITY TEST | NAKANE DIAGNOSTICS INC (US) | 2009-05-13 | — | — | EP | disclosed |
| EP-1324736-A4 | RAPID ANTIBIOTIC SUSCEPTIBILITY TEST | TRINE PHARMACEUTICALS INC (US) | 2005-07-20 | — | — | EP | disclosed |
| US-6750038-B1 | Rapid antibiotic susceptibility test | ESSENTIAL THERAPEUTICS, INC. | 2004-06-15 | — | — | US | disclosed |
| EP-1324736-A2 | RAPID ANTIBIOTIC SUSCEPTIBILITY TEST | Essential Therapeutics, Inc. (US) | 2003-07-09 | — | — | EP | disclosed |
| WO-2002055015-A2 | RAPID ANTIBIOTIC SUSCEPTIBILITY TEST | ESSENTIAL THERAPEUTICS, INC. (US) | 2002-07-18 | — | — | WO | disclosed |