Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 15/20 | 0.79 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | IDH1 | O75874 | 3/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28450989 | 0.95 | IDH2 (0.78) | IDH2LMNAMAPTMAPK1IDH1 | |
| SCHEMBL28459442 | 0.89 | IDH2 (1.00) | IDH2LMNAMAPTMAPK1IDH1 | |
| SCHEMBL28455336 | 0.84 | IDH2 (0.88) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL28451428 | 0.82 | IDH2 (0.80) | IDH2LMNAMAPTMAPK1APP | |
| SCHEMBL28451427 | 0.82 | IDH2 (0.80) | IDH2LMNAMAPTMAPK1APP | |
| SCHEMBL28457048 | 0.82 | IDH2 (0.80) | IDH2LMNAMAPTMAPK1APP | |
| SCHEMBL1393001 | 0.81 | LMNA (0.62) | IDH2LMNAMAPTMAPK1APP | |
| SCHEMBL28451633 | 0.80 | IDH2 (0.79) | IDH2LMNAMAPTMAPK1APP | |
| SCHEMBL28455010 | 0.80 | IDH2 (0.81) | IDH2LMNAMAPTMAPK1IDH1 | |
| SCHEMBL1392268 | 0.76 | IDH2 (0.63) | IDH2LMNAMAPTMAPK1IDH1 |
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 |