Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRB2 | P62993 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 3/20 | 0.31 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | ODC1 | P11926 | 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 | |
|---|---|---|---|---|
| SCHEMBL761737 | 0.78 | SLC1A3 (0.35) | GRB2NOS2NOS3NOS1 | |
| SCHEMBL11196601 | 0.70 | — | — | |
| SCHEMBL5288286 | 0.69 | ALDH1A1 (0.44) | GRB2 | |
| SCHEMBL11079667 | 0.67 | ODC1 (0.30) | ODC1 | |
| SCHEMBL24613135 | 0.65 | CETP (0.52) | ODC1 | |
| SCHEMBL23949233 | 0.65 | CETP (0.52) | ODC1 | |
| SCHEMBL128482 | 0.64 | — | — | |
| SCHEMBL29180660 | 0.63 | ODC1 (0.36) | ODC1 | |
| Trifluoroacetic Acid SCHEMBL28235039 | 0.62 | ALDH1A1 (0.38) | ODC1 | |
| Trifluoroacetic Acid SCHEMBL20539407 | 0.62 | CETP (0.48) | GRB2ODC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0046711-B1 | FLUORINATED AMINO-BUTYRIC ACID AND DIAMINOBUTANE DERIVATIVES | MERRELL TORAUDE ET COMPAGNIE (FR) | 1984-09-05 | — | — | EP | disclosed |
| US-4418077-A | INHIBITORS OF GAMMA-AMINOBUTYRIC ACID TRANSAMINASE | MERRELL TORAUDE ET COMPAGNIE (FR) | 1983-11-29 | — | — | US | disclosed |
| EP-0046711-A1 | Fluorinated amino-butyric acid and diaminobutane derivatives | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-03-03 | — | — | EP | disclosed |