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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5533854 | 0.99 | HTT (0.54) | HTTHSD17B10SMN1; SMN2CYP3A4TDP1 | |
| SCHEMBL5532426 | 0.79 | HTT (0.61) | HTTHSD17B10SMN1; SMN2CYP3A4TDP1 | |
| SCHEMBL5533851 | 0.74 | HTT (0.82) | HTTHSD17B10SMN1; SMN2CYP3A4ALDH1A1 | |
| SCHEMBL11686502 | 0.73 | HTT (0.71) | HTTHSD17B10SMN1; SMN2CYP3A4TDP1 | |
| Water SCHEMBL6854528 | 0.72 | PNP (0.36) | HTTSMN1; SMN2MAPTTSHRKDM4E | |
| SCHEMBL14308366 | 0.69 | HTT (0.65) | HTTHSD17B10SMN1; SMN2CYP3A4TDP1 | |
| SCHEMBL14283722 | 0.69 | HTT (0.65) | HTTHSD17B10SMN1; SMN2CYP3A4TDP1 | |
| SCHEMBL14283719 | 0.69 | HTT (0.65) | HTTHSD17B10SMN1; SMN2CYP3A4TDP1 | |
| SCHEMBL1266791 | 0.69 | HTT (1.00) | HTTHSD17B10SMN1; SMN2CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL5535871 | 0.68 | HTT (0.97) | HTTHSD17B10SMN1; SMN2CYP3A4TDP1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070259887-A1 | INHIBITORS OF POLYQ-AGGREGATION | MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2007-11-08 | — | — | US | claimed |
| EP-1416931-B1 | INHIBITORS OF POLYQ-AGGREGATION | MAX PLANCK GESELLSCHAFT (DE) | 2007-06-13 | — | — | EP | claimed |
| US-20050124631-A1 | Inhibitors of polyq-aggregation | MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2005-06-09 | — | — | US | claimed |
| EP-1416931-A1 | INHIBITORS OF POLYQ-AGGREGATION | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2004-05-12 | — | — | EP | claimed |
| WO-2003015772-A1 | INHIBITORS OF POLYQ-AGGREGATION | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2003-02-27 | — | — | WO | claimed |
| US-20070259887-A1 | INHIBITORS OF POLYQ-AGGREGATION | MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2007-11-08 | — | — | US | disclosed |
| EP-1416931-B1 | INHIBITORS OF POLYQ-AGGREGATION | MAX PLANCK GESELLSCHAFT (DE) | 2007-06-13 | — | — | EP | disclosed |
| US-20050124631-A1 | Inhibitors of polyq-aggregation | MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2005-06-09 | — | — | US | disclosed |
| EP-1416931-A1 | INHIBITORS OF POLYQ-AGGREGATION | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003015772-A1 | INHIBITORS OF POLYQ-AGGREGATION | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2003-02-27 | — | — | 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-20070259887-A1 | INHIBITORS OF POLYQ-AGGREGATION | HTT, ATXN2, ATXN2L | HTT 1/4885HSD17B10 3601/4885SMN1; SMN2 36/4885 |
| US-20050124631-A1 | Inhibitors of polyq-aggregation | HTT, ATXN2, ATXN2L | HTT 1/4885HSD17B10 3601/4885SMN1; SMN2 36/4885 |
“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.