Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.53 |
| ▸ | MEN1 | O00255 | 5/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4965383 | 0.92 | PDE7A (0.63) | PDE7AHSD17B10KMT2AMEN1GAA | |
| SCHEMBL11511746 | 0.88 | PDE7A (0.71) | PDE7AHSD17B10KMT2AMEN1GAA | |
| SCHEMBL2392895 | 0.88 | PDE7A (0.63) | PDE7AHSD17B10KMT2AMEN1GAA | |
| SCHEMBL3531370 | 0.87 | HSPB1 (0.55) | PDE7AHSD17B10KMT2AMEN1ALDH1A1 | |
| SCHEMBL30098850 | 0.84 | HPGD (0.63) | PDE7AHSD17B10KMT2AMEN1GAA | |
| SCHEMBL22069578 | 0.84 | HPGD (0.63) | PDE7AHSD17B10KMT2AMEN1GAA | |
| SCHEMBL11094531 | 0.83 | VCAM1 (0.62) | PDE7AHSD17B10KMT2AMEN1ALDH1A1 | |
| SCHEMBL2967458 | 0.83 | PDE7A (0.78) | PDE7AHSD17B10KMT2AMEN1GAA | |
| SCHEMBL9629003 | 0.83 | PDE7A (0.56) | PDE7AHSD17B10KMT2AMEN1GAA | |
| SCHEMBL11159166 | 0.82 | PDE7A (0.52) | PDE7AHSD17B10KMT2AMEN1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3666769-A1 | NOVEL CASPASE INHIBITORS | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2020-06-17 | — | — | EP | disclosed |
| EP-3666769-A1 | NOVEL CASPASE INHIBITORS | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2020-06-17 | — | — | EP | disclosed |