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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PER2 | O15055 | 1/20 | 0.35 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.35 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20324523 | 0.98 | ALDH1A1 (0.49) | ALDH1A1CYP2D6GAAMAPTHTT | |
| SCHEMBL20324519 | 0.96 | ALDH1A1 (0.47) | ALDH1A1CYP2D6GAAMAPTHTT | |
| SCHEMBL20324517 | 0.96 | ALDH1A1 (0.47) | ALDH1A1CYP2D6GAAMAPTHTT | |
| Water SCHEMBL11881132 | 0.90 | ALDH1A1 (0.52) | ALDH1A1CYP2D6GAAMAPTHTT | |
| SCHEMBL1152092 | 0.88 | — | — | |
| SCHEMBL15087211 | 0.88 | ALDH1A1 (0.52) | ALDH1A1CYP2D6GAAMAPTHTT | |
| SCHEMBL20324518 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CYP2D6GAAMAPTHTT | |
| SCHEMBL10942355 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP2D6GAAMAPTHTT | |
| SCHEMBL8806778 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP2D6GAAMAPTHTT | |
| SCHEMBL20324528 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP2D6GAAMAPTHTT |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090042848-A1 | COPPER COMPLEXES | LAY PETER | 2009-02-12 | — | — | US | disclosed |
| US-20080039522-A1 | Composition Containing a Complex Comprising a Metal Ion and a Carboxylate Ligand Having Anti-Inflammatory Activity | MEDICAL THERAPIES LIMITED (AU) | 2008-02-14 | — | — | US | disclosed |
| EP-1868995-A1 | COPPER COMPLEXES | MEDICAL THERAPIES LIMITED (AU) | 2007-12-26 | — | — | EP | disclosed |
| WO-2007109844-A1 | ANTI-INFLAMMATORY METAL COMPLEXES | MEDICAL THERAPIES LIMITED (AU) | 2007-10-04 | — | — | WO | disclosed |
| WO-2007109843-A1 | METAL COMPLEXES HAVING ANTI-INFLAMMATORY ACTIVITY | MEDICAL THERAPIES LIMITED (AU) | 2007-10-04 | — | — | WO | disclosed |
| EP-1734945-A4 | A COMPOSITION CONTAINING A COMPLEX COMPRISING A METAL ION AND A CARBOXYLATE LIGAND HAVING ANTI-INFLAMMATORY ACTIVITY | MEDICAL THERAPIES LTD (AU) | 2007-10-03 | — | — | EP | disclosed |
| EP-1734945-A1 | A COMPOSITION CONTAINING A COMPLEX COMPRISING A METAL ION AND A CARBOXYLATE LIGAND HAVING ANTI-INFLAMMATORY ACTIVITY | THE UNIVERSITY OF SYDNEY (AU) | 2006-12-27 | — | — | EP | disclosed |
| WO-2006099685-A1 | METHOD FOR THE PROPHYLAXIS OR TREATMENT OF CARCINOMAS | MEDICAL THERAPIES LIMITED (AU) | 2006-09-28 | — | — | WO | disclosed |
| WO-2006099684-A1 | COPPER COMPLEXES | MEDICAL THERAPIES LIMITED (AU) | 2006-09-28 | — | — | WO | disclosed |
| WO-2006099677-A1 | METAL COMPLEXES | MEDICAL THERAPIES LIMITED (AU) | 2006-09-28 | — | — | WO | disclosed |
| WO-2005094809-A1 | A COMPOSITION CONTAINING A COMPLEX COMPRISING A METAL ION AND A CARBOXYLATE LIGAND HAVING ANTI-INFLAMMATORY ACTIVITY | MEDICAL THERAPIES LIMITED (AU) | 2005-10-13 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090042848-A1 | COPPER COMPLEXES | SOD1, SOD3, CCL2 | ALDH1A1 444/4885CYP2D6 520/4885GAA 2360/4885 |
| US-20080039522-A1 | Composition Containing a Complex Comprising a Metal Ion and a Carboxylate Ligand Having Anti-Inflammatory Activity | MIF, TNF, LITAF | ALDH1A1 1481/4885CYP2D6 2292/4885GAA 1199/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.