Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.58 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8465492 | 0.86 | HTT (0.61) | HTTALDH1A1HPGDLMNAGABRA1 | |
| SCHEMBL4943834 | 0.86 | HTT (0.61) | HTTALDH1A1HPGDLMNAGABRA1 | |
| SCHEMBL13636371 | 0.85 | HPGD (0.43) | HTTALDH1A1HPGDLMNAGABRA1 | |
| SCHEMBL9550443 | 0.84 | HTT (0.60) | HTTALDH1A1HPGDLMNAGABRA1 | |
| SCHEMBL1092424 | 0.83 | HTT (0.71) | HTTALDH1A1HPGDLMNAGABRA1 | |
| SCHEMBL7105508 | 0.83 | ALDH1A1 (0.41) | HTTALDH1A1HPGDLMNAGABRA1 | |
| SCHEMBL9349415 | 0.81 | HTT (0.57) | HTTALDH1A1HPGDLMNAGABRA1 | |
| Zinc Ion SCHEMBL9550437 | 0.81 | HTT (0.57) | HTTALDH1A1HPGDLMNAGABRA1 | |
| SCHEMBL10710591 | 0.80 | ALDH1A1 (0.41) | HTTALDH1A1HPGDLMNAGABRA1 | |
| SCHEMBL20402834 | 0.80 | HTT (0.77) | HTTALDH1A1HPGDPOLBMEN1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2081891-A2 | PHARMACEUTICAL COMPOUNDS HAVING HSP90 INHIBITORY OR MODULATING ACTIVITY | Astex Therapeutics Limited (GB) | 2009-07-29 | — | — | EP | disclosed |
| EP-2073802-A1 | PHARMACEUTICAL COMBINATIONS | Astex Therapeutics Limited (GB) | 2009-07-01 | — | — | EP | disclosed |
| EP-2073803-A1 | PHARMACEUTICAL COMBINATIONS | Astex Therapeutics Limited (GB) | 2009-07-01 | — | — | EP | disclosed |
| EP-2073807-A1 | PHARMACEUTICAL COMBINATIONS | Astex Therapeutics Limited (GB) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008044045-A1 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |
| WO-2008044029-A1 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |
| WO-2008044041-A1 | PHARMACEUTICAL COMBINATIONS | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |
| WO-2008044027-A2 | PHARMACEUTICAL COMPOUNDS HAVING HSP90 INHIBITORY OR MODULATING ACTIVITY | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |
| EP-1883402-A2 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | Astex Therapeutics Limited (GB) | 2008-02-06 | — | — | EP | disclosed |
| EP-1877379-A1 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | Astex Therapeutics Limited (GB) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006109075-A2 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | ASTEX THERAPEUTICS LIMITED (GB) | 2006-10-19 | — | — | WO | disclosed |
| WO-2006109085-A1 | HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 | ASTEX THERAPEUTICS LIMITED (GB) | 2006-10-19 | — | — | WO | disclosed |