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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GSR | P00390 | 1/20 | 0.33 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.33 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6520098 | 0.96 | GSR (0.35) | KDM4EALDH1A1TDP1LMNAHSD17B10 | |
| Water SCHEMBL4930788 | 0.96 | KDM4E (0.40) | KDM4EALDH1A1TDP1LMNAHSD17B10 | |
| Water SCHEMBL19019782 | 0.96 | KDM4E (0.40) | KDM4EALDH1A1TDP1LMNAHSD17B10 | |
| SCHEMBL2112332 | 0.96 | GSR (0.35) | KDM4EALDH1A1TDP1LMNAHSD17B10 | |
| SCHEMBL5078531 | 0.96 | GSR (0.35) | KDM4EALDH1A1TDP1LMNAHSD17B10 | |
| Water SCHEMBL8171778 | 0.91 | — | — | |
| SCHEMBL5081844 | 0.91 | GSR (0.36) | KDM4EALDH1A1TDP1LMNAHSD17B10 | |
| SCHEMBL159013 | 0.91 | GSR (0.36) | KDM4EALDH1A1TDP1LMNAHSD17B10 | |
| SCHEMBL916303 | 0.91 | GSR (0.36) | KDM4EALDH1A1TDP1LMNAHSD17B10 | |
| SCHEMBL14716520 | 0.87 | KDM4E (0.43) | KDM4EALDH1A1TDP1LMNAHSD17B10 |
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-0677171-B1 | TETRAHYDROXYQUINONE AS AN ACTIVATOR COMPONENT FOR ACTIVATED PARTIAL THROMBOPLASTINE TIME TEST OF BLOOD COAGULATION AND AS A DETECTOR OF BLOOD COAGULATION DISORDERS | DADE BEHRING INC (US) | 2000-03-29 | — | — | EP | claimed |
| EP-0677171-A1 | TETRAHYDROXYQUINONE AS AN ACTIVATOR COMPONENT FOR ACTIVATED PARTIAL THROMBOPLASTINE TIME TEST OF BLOOD COAGULATION AND AS A DETECTOR OF BLOOD COAGULATION DISORDERS | DADE INTERNATIONAL INC. (US) | 1995-10-18 | — | — | EP | claimed |
| WO-1995012818-A1 | TETRAHYDROXYQUINONE AS AN ACTIVATOR COMPONENT FOR ACTIVATED PARTIAL THROMBOPLASTINE TIME TEST OF BLOOD COAGULATION AND AS A DETECTOR OF BLOOD COAGULATION DISORDERS | BAXTER DIAGNOSTICS INC. (US) | 1995-05-11 | — | — | WO | claimed |
| EP-0677171-B1 | TETRAHYDROXYQUINONE AS AN ACTIVATOR COMPONENT FOR ACTIVATED PARTIAL THROMBOPLASTINE TIME TEST OF BLOOD COAGULATION AND AS A DETECTOR OF BLOOD COAGULATION DISORDERS | DADE BEHRING INC (US) | 2000-03-29 | — | — | EP | disclosed |
| US-5550028-A | Tetrahydroxyquinone as an activator component for activated partial thromboplastin time test of blood coagulation | DADE INTERNATIONAL INC. (US) | 1996-08-27 | — | — | US | disclosed |
| EP-0677171-A1 | TETRAHYDROXYQUINONE AS AN ACTIVATOR COMPONENT FOR ACTIVATED PARTIAL THROMBOPLASTINE TIME TEST OF BLOOD COAGULATION AND AS A DETECTOR OF BLOOD COAGULATION DISORDERS | DADE INTERNATIONAL INC. (US) | 1995-10-18 | — | — | EP | disclosed |
| WO-1995012818-A1 | TETRAHYDROXYQUINONE AS AN ACTIVATOR COMPONENT FOR ACTIVATED PARTIAL THROMBOPLASTINE TIME TEST OF BLOOD COAGULATION AND AS A DETECTOR OF BLOOD COAGULATION DISORDERS | BAXTER DIAGNOSTICS INC. (US) | 1995-05-11 | — | — | WO | disclosed |