Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 6/20 | 0.64 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.59 |
| ▸ | BAX | Q07812 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.56 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.55 |
| ▸ | DRD1 | P21728 | 2/20 | 0.55 |
| ▸ | DRD3 | P35462 | 2/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL5556390 | 1.00 | IDH1 (0.64) | IDH1SLC1A3BAXMAPTHTT | |
| SCHEMBL29504706 | 0.84 | MC4R (0.56) | IDH1SLC1A3BAXMAPTHTT | |
| SCHEMBL8305070 | 0.81 | KCNA5 (0.76) | IDH1MAPTHTTKDM4EALDH1A1 | |
| SCHEMBL11819962 | 0.79 | IDH1 (0.48) | IDH1SLC1A3BAXMAPTHTT | |
| SCHEMBL16182262 | 0.79 | IDH1 (0.48) | IDH1SLC1A3BAXMAPTHTT | |
| SCHEMBL8304948 | 0.79 | MEN1 (0.55) | IDH1MAPTKDM4EALDH1A1LMNA | |
| SCHEMBL9959870 | 0.78 | ALOX12 (0.76) | IDH1MAPTHTTKDM4EALDH1A1 | |
| SCHEMBL3637549 | 0.78 | IDH1 (0.50) | IDH1SLC1A3BAXMAPTHTT | |
| SCHEMBL11813355 | 0.77 | IDH1 (0.49) | IDH1SLC1A3BAXMAPTHTT | |
| SCHEMBL30499312 | 0.77 | IDH1 (0.49) | IDH1SLC1A3BAXMAPTHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3297992-B1 | HETEROCYCLICALKYL DERIVATIVE COMPOUNDS AS SELECTIVE HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2020-02-05 | — | — | EP | disclosed |