Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 19/20 | 0.46 |
| ▸ | IDH2 | P48735 | 15/20 | 0.39 |
| ▸ | KRAS | P01116 | 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 | |
|---|---|---|---|---|
| SCHEMBL22201592 | 0.82 | DNMT3A (0.42) | — | |
| SCHEMBL22591166 | 0.74 | IDH1 (0.45) | IDH1IDH2 | |
| SCHEMBL19701075 | 0.73 | IDH1 (0.82) | IDH1IDH2 | |
| SCHEMBL22591174 | 0.68 | IDH1 (0.47) | IDH1IDH2 | |
| SCHEMBL22879085 | 0.68 | IDH1 (0.49) | IDH1IDH2 | |
| SCHEMBL22591169 | 0.67 | IDH1 (0.47) | IDH1IDH2 | |
| SCHEMBL22201518 | 0.67 | DNMT3A (0.49) | — | |
| SCHEMBL22201753 | 0.66 | IDH1 (0.81) | IDH1IDH2 | |
| SCHEMBL26068256 | 0.66 | IDH1 (0.46) | IDH1IDH2 | |
| SCHEMBL19701043 | 0.65 | IDH1 (0.64) | IDH1IDH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3464281-B1 | MUTANT IDH1 INHIBITORS | LILLY CO ELI (US) | 2020-07-08 | — | — | EP | disclosed |