Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL157690 | 0.94 | ALDH1A1 (0.34) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL3356698 | 0.94 | ALDH1A1 (0.34) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL1011667 | 0.89 | HCAR2 (0.31) | — | |
| SCHEMBL157683 | 0.85 | ALDH1A1 (0.31) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL892974 | 0.83 | — | — | |
| SCHEMBL5148476 | 0.81 | ALDH1A1 (0.34) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL1746346 | 0.81 | ALDH1A1 (0.34) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Phosphoric Acid SCHEMBL2703749 | 0.80 | — | — | |
| SCHEMBL4243901 | 0.80 | — | — | |
| SCHEMBL9244672 | 0.79 | ALDH1A1 (0.30) | 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-5026929-A | Synthesis of highly fluorinated aromatic compounds | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1991-06-25 | — | — | US | disclosed |