Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.80 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.35 |
| ▸ | NSD1 | Q96L73 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5533851 | 0.99 | HTT (0.82) | HTTHSD17B10SMN1; SMN2ALOX5LTB4R | |
| SCHEMBL1266791 | 0.89 | HTT (1.00) | HTTHSD17B10SMN1; SMN2NSD1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5535871 | 0.88 | HTT (0.97) | HTTHSD17B10SMN1; SMN2NSD1ALDH1A1 | |
| SCHEMBL11686502 | 0.74 | HTT (0.71) | HTTHSD17B10SMN1; SMN2NSD1ALDH1A1 | |
| SCHEMBL5533854 | 0.74 | HTT (0.54) | HTTHSD17B10SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL5534011 | 0.74 | HTT (0.71) | HTTHSD17B10SMN1; SMN2NSD1ALDH1A1 | |
| SCHEMBL5535705 | 0.74 | HTT (0.71) | HTTHSD17B10SMN1; SMN2NSD1ALDH1A1 | |
| SCHEMBL20319260 | 0.72 | HTT (0.67) | HTTHSD17B10SMN1; SMN2NSD1ALDH1A1 | |
| Water SCHEMBL6854525 | 0.71 | PNP (0.46) | HTT | |
| SCHEMBL14283719 | 0.70 | HTT (0.65) | HTTHSD17B10SMN1; SMN2NSD1ALDH1A1 |
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.