Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.35 |
| ▸ | CCR9 | P51686 | 4/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21351756 | 0.66 | KDM4E (0.34) | ALDH1A1HTTNPSR1 | |
| SCHEMBL1114208 | 0.65 | KDM4E (0.36) | ALDH1A1CCR9OPRM1 | |
| SCHEMBL6862404 | 0.63 | KCNH2 (0.37) | ALDH1A1HTTNPSR1 | |
| SCHEMBL6321695 | 0.61 | GABRA1 (0.52) | AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL10826347 | 0.61 | AKR1C2 (0.41) | AKR1C2AKR1C1 | |
| SCHEMBL29065613 | 0.59 | GABRA1 (0.50) | AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL12891080 | 0.59 | KCNH2 (0.48) | ALDH1A1S1PR1S1PR4S1PR5 | |
| SCHEMBL28861008 | 0.59 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1ALDH1A1HTTNPSR1 | |
| SCHEMBL1044315 | 0.59 | KCNH2 (0.58) | ALDH1A1 | |
| SCHEMBL6047987 | 0.59 | KCNH2 (0.50) | ALDH1A1S1PR1S1PR4S1PR5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421528-A1 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES | Institute for OneWorld Health (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010123933-A1 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES | INSTITUTE FOR ONEWORLD HEALTH (US) | 2010-10-28 | — | — | WO | disclosed |