Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 16/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | IDH2 | P48735 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22201583 | 0.91 | IDH1 (0.54) | IDH1ACHEDNMT3ATLR9 | |
| SCHEMBL19701043 | 0.91 | IDH1 (0.64) | IDH1ACHEDNMT3ATLR9IDH2 | |
| SCHEMBL19701040 | 0.83 | IDH1 (0.66) | IDH1DNMT3AIDH2 | |
| SCHEMBL19700934 | 0.81 | IDH1 (0.66) | IDH1IDH2 | |
| SCHEMBL21378382 | 0.81 | IDH1 (0.66) | IDH1IDH2 | |
| SCHEMBL19701039 | 0.81 | IDH1 (0.78) | IDH1IDH2 | |
| SCHEMBL21378515 | 0.81 | IDH1 (0.78) | IDH1IDH2 | |
| SCHEMBL19701075 | 0.78 | IDH1 (0.82) | IDH1IDH2 | |
| SCHEMBL22201764 | 0.77 | IDH1 (0.60) | IDH1ACHEDNMT3A | |
| SCHEMBL22201518 | 0.77 | DNMT3A (0.49) | ACHEDNMT3ATLR9 |
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 |