Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 5/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.32 |
| ▸ | EIF4E | P06730 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | SDHB | P21912 | 1/20 | 0.30 |
| ▸ | MPL | P40238 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL578086 | 0.86 | IDH1 (0.36) | IDH1S1PR1EIF4EPTGESIRAK4 | |
| SCHEMBL13147658 | 0.83 | IDH1 (0.36) | IDH1PTGESIRAK4HSP90AA1HSP90AB1 | |
| SCHEMBL13147662 | 0.83 | IDH1 (0.36) | IDH1S1PR1PTGESHSP90AA1HSP90AB1 | |
| SCHEMBL13147740 | 0.83 | IDH1 (0.41) | IDH1PTGESMPL | |
| SCHEMBL13147664 | 0.81 | ALDH1A1 (0.44) | IDH1S1PR1HSP90AA1HSP90AB1SDHB | |
| SCHEMBL13147680 | 0.81 | PTGS2 (0.40) | IDH1HSP90AA1HSP90AB1 | |
| SCHEMBL13147670 | 0.81 | KDM4E (0.36) | IDH1HSP90AA1HSP90AB1 | |
| SCHEMBL13147748 | 0.78 | IDH1 (0.36) | IDH1HSP90AA1HSP90AB1 | |
| SCHEMBL577837 | 0.78 | IDH1 (0.33) | IDH1S1PR1 | |
| SCHEMBL13147742 | 0.78 | IDH1 (0.37) | IDH1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010118078-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |