Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 11/20 | 0.83 |
| ▸ | CTSK | P43235 | 1/20 | 0.66 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | BCL6 | P41182 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30568835 | 0.91 | KCNH3 (1.00) | KCNH3CTSKCA1CA2CA9 | |
| SCHEMBL2253957 | 0.86 | GAA (0.69) | KCNH3MAPTKMT2ANPC1HTT | |
| SCHEMBL14869705 | 0.84 | KCNH3 (0.73) | KCNH3CTSKCA1CA2CA9 | |
| SCHEMBL1924308 | 0.83 | KCNH3 (0.83) | KCNH3CTSKMAPTKMT2ANPC1 | |
| SCHEMBL30568861 | 0.83 | KCNH3 (0.83) | KCNH3CTSKMAPTKMT2ANPC1 | |
| SCHEMBL14869794 | 0.83 | KCNH3 (0.77) | KCNH3CTSKMAPTKMT2ANPC1 | |
| SCHEMBL14869760 | 0.82 | POLB (0.61) | KCNH3CTSKCA1CA2CA9 | |
| SCHEMBL15102338 | 0.82 | KCNH3 (0.81) | KCNH3CTSKCA1CA2CA9 | |
| SCHEMBL19486673 | 0.82 | KCNH3 (0.81) | KCNH3CTSKCA1CA2CA9 | |
| SCHEMBL183118 | 0.82 | NPC1 (0.68) | KCNH3CA1CA2CA9MAPT |
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 |