Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 16/20 | 0.77 |
| ▸ | IDH1 | O75874 | 7/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28449220 | 1.00 | IDH2 (0.77) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL28899476 | 0.88 | IDH1 (0.72) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL28463054 | 0.88 | IDH1 (0.72) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL28468264 | 0.88 | IDH1 (0.72) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL28451469 | 0.87 | IDH2 (1.00) | IDH2 | |
| SCHEMBL28455001 | 0.87 | IDH2 (1.00) | IDH2 | |
| SCHEMBL28451468 | 0.87 | IDH2 (1.00) | IDH2 | |
| SCHEMBL28897972 | 0.82 | IDH2 (1.00) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL29763338 | 0.80 | IDH1 (0.73) | IDH2IDH1ABCB11ADORA3CHRM1 | |
| SCHEMBL28451640 | 0.79 | IDH2 (1.00) | IDH2IDH1ABCB11ADORA3CHRM1 |
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 |