Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 7/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL578072 | 0.88 | IDH1 (0.39) | IDH1ATR | |
| SCHEMBL13147740 | 0.82 | IDH1 (0.41) | IDH1CA2CHKA | |
| SCHEMBL578236 | 0.81 | IDH1 (0.36) | IDH1 | |
| SCHEMBL13147659 | 0.79 | IDH1 (0.35) | IDH1 | |
| SCHEMBL13147660 | 0.78 | IDH1 (0.39) | IDH1CA2CHKA | |
| SCHEMBL13147656 | 0.78 | KDM4E (0.47) | — | |
| SCHEMBL13147664 | 0.78 | ALDH1A1 (0.44) | IDH1CA2CHKA | |
| SCHEMBL13147661 | 0.77 | IDH1 (0.37) | IDH1CA2CHKA | |
| SCHEMBL13147742 | 0.77 | IDH1 (0.37) | IDH1 | |
| SCHEMBL1926969 | 0.76 | PDE2A (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 |