Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 6/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | IDH2 | P48735 | 4/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL19700752 | 0.88 | IDH1 (0.48) | IDH1IDH2 | |
| SCHEMBL19700755 | 0.87 | ACHE (0.43) | IDH1L3MBTL1NPC1RAB9AIDH2 | |
| SCHEMBL19700709 | 0.73 | IDH1 (0.46) | IDH1HRH4 | |
| SCHEMBL20289880 | 0.69 | IDH1 (0.61) | IDH1IDH2 | |
| SCHEMBL22201749 | 0.65 | IDH1 (0.58) | IDH1HRH4 | |
| SCHEMBL22879042 | 0.65 | IDH1 (0.60) | IDH1HRH4IDH2 | |
| SCHEMBL22201732 | 0.64 | ACHE (0.41) | IDH1L3MBTL1NPC1RAB9AIDH2 | |
| SCHEMBL19700750 | 0.63 | IDH1 (0.66) | IDH1IDH2 | |
| SCHEMBL19701063 | 0.63 | IDH1 (0.63) | IDH1 | |
| SCHEMBL19700743 | 0.63 | SLC6A4 (0.46) | — |
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 |