Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16728935 | 0.94 | TOP2A (0.30) | — | |
| SCHEMBL16611221 | 0.87 | KDM4E (0.32) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL16611421 | 0.81 | MEN1 (0.34) | GSK3B | |
| SCHEMBL16610936 | 0.81 | MARK3 (0.34) | GSK3B | |
| SCHEMBL16726657 | 0.81 | KDM4E (0.32) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL16611259 | 0.79 | BRD4 (0.33) | GSK3B | |
| SCHEMBL16611298 | 0.79 | OPRM1 (0.31) | GSK3B | |
| SCHEMBL16611657 | 0.79 | QPCT (0.32) | ALDH1A1GSK3B | |
| SCHEMBL18052591 | 0.77 | MARK3 (0.32) | GSK3B | |
| SCHEMBL16611150 | 0.77 | XDH (0.33) | — |
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-2857400-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | disclosed |