Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6422346 | 0.96 | ALDH1A1 (0.45) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL6423668 | 0.89 | MAPK1 (0.34) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL6419289 | 0.82 | ALDH1A1 (0.37) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL6419235 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL9054138 | 0.76 | HTT (0.46) | ALDH1A1 | |
| SCHEMBL16557636 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL538076 | 0.73 | ALDH1A1 (0.43) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL259571 | 0.73 | ALDH1A1 (0.43) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL7593286 | 0.73 | ALDH1A1 (0.43) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL4625213 | 0.72 | MAPK1 (0.46) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050281968-A1 | Energetic structural material | ALLIANT TECHSYSTEMS INC. (US) | 2005-12-22 | — | — | US | claimed |