Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 19/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | IDH2 | P48735 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22201787 | 0.91 | IDH1 (0.61) | IDH1ACHEIDH2 | |
| SCHEMBL21399943 | 0.91 | IDH1 (0.63) | IDH1IDH2 | |
| SCHEMBL19700750 | 0.87 | IDH1 (0.66) | IDH1IDH2 | |
| SCHEMBL19700736 | 0.83 | ACHE (0.47) | IDH1ACHE | |
| SCHEMBL19700709 | 0.83 | IDH1 (0.46) | IDH1 | |
| SCHEMBL19700700 | 0.81 | IDH1 (0.76) | IDH1IDH2 | |
| SCHEMBL20289762 | 0.79 | IDH1 (0.65) | IDH1IDH2 | |
| SCHEMBL19700755 | 0.79 | ACHE (0.43) | IDH1ACHEIDH2 | |
| SCHEMBL19700746 | 0.78 | DNMT3A (0.51) | IDH1ACHE | |
| SCHEMBL22201753 | 0.78 | IDH1 (0.81) | 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 2 patents. 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 |
| WO-2017213910-A1 | MUTANT IDH1 INHIBITORS | ELI LILLY AND COMPANY (US) | 2017-12-14 | — | — | WO | disclosed |