Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAD | P27708 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL28697232 | 0.72 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL4592519 | 0.68 | ALDH1A1 (0.44) | CADALDH1A1HPGD | |
| SCHEMBL11445193 | 0.67 | MGAM (0.39) | CADALDH1A1 | |
| SCHEMBL10710775 | 0.64 | MEN1 (0.35) | ALDH1A1 | |
| SCHEMBL7671017 | 0.63 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL28401233 | 0.62 | TSHR (0.53) | ALDH1A1HPGD | |
| SCHEMBL26598542 | 0.62 | CYP1A2 (0.52) | ALDH1A1 | |
| SCHEMBL10983086 | 0.61 | MGAM (0.41) | CADALDH1A1 | |
| SCHEMBL5603 | 0.61 | — | — | |
| SCHEMBL17617672 | 0.61 | — | — |
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-0117959-A2 | Nitrosourea derivatives, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1984-09-12 | — | — | EP | disclosed |