Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 9/20 | 0.82 |
| ▸ | MAPT | P10636 | 3/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 3/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30568857 | 0.91 | IDH2 (1.00) | IDH2MAPTLMNAMAPK1APP | |
| SCHEMBL30568865 | 0.86 | MAPT (0.83) | IDH2MAPTLMNAKDM4EMAPK1 | |
| SCHEMBL28449187 | 0.86 | MAPT (0.83) | IDH2MAPTLMNAKDM4EMAPK1 | |
| SCHEMBL28458395 | 0.84 | IDH2 (0.86) | IDH2MAPTLMNAKDM4EMAPK1 | |
| SCHEMBL23130552 | 0.82 | ALDH1A1 (0.55) | IDH2MAPTLMNAKDM4EALDH1A1 | |
| SCHEMBL2453133 | 0.81 | RAB9A (0.61) | IDH2MAPTLMNAKDM4EALDH1A1 | |
| SCHEMBL1391440 | 0.81 | MAPT (1.00) | IDH2MAPTLMNAKDM4EMAPK1 | |
| SCHEMBL30568838 | 0.81 | IDH2 (0.79) | IDH2MAPTLMNAMAPK1APP | |
| SCHEMBL28455277 | 0.81 | IDH2 (0.79) | IDH2MAPTLMNAMAPK1APP | |
| SCHEMBL15841812 | 0.80 | ALDH1A1 (0.53) | IDH2MAPTLMNAAPPALDH1A1 |
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 |