Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 6/20 | 0.85 |
| ▸ | APP | P05067 | 4/20 | 0.82 |
| ▸ | MAPT | P10636 | 3/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | CTSC | P53634 | 1/20 | 0.64 |
| ▸ | AURKA | O14965 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1391344 | 0.92 | APP (0.79) | IDH2APPMAPTMAPK1CTSC | |
| SCHEMBL30568814 | 0.92 | APP (0.79) | IDH2APPMAPTMAPK1CTSC | |
| SCHEMBL28455381 | 0.87 | IDH2 (0.91) | IDH2APPMAPTMAPK1MEN1 | |
| SCHEMBL13771505 | 0.86 | APP (0.76) | IDH2APPMAPTMAPK1CTSC | |
| SCHEMBL30933618 | 0.86 | APP (0.66) | IDH2APPMAPTMAPK1CTSC | |
| SCHEMBL30933619 | 0.86 | APP (0.66) | IDH2APPMAPTMAPK1CTSC | |
| SCHEMBL30568792 | 0.84 | APP (0.67) | IDH2APPMAPTMAPK1CTSC | |
| SCHEMBL28897970 | 0.84 | APP (0.67) | IDH2APPMAPTMAPK1CTSC | |
| SCHEMBL2856487 | 0.83 | IDH2 (0.71) | IDH2APPMAPTMAPK1CTSC | |
| SCHEMBL28455014 | 0.82 | IDH2 (0.88) | IDH2APPMAPTMAPK1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111662242-B | Heterocyclic IDH mutant inhibitor, preparation method and application thereof | 中国药科大学 | 2023-10-24 | — | — | CN | disclosed |
| CN-111662242-A | Heterocyclic IDH mutant inhibitor, preparation method and application thereof | 中国药科大学 | 2020-09-15 | — | — | CN | disclosed |