Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 18/20 | 0.79 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.79 |
| ▸ | PDE4A | P27815 | 1/20 | 0.79 |
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 | |
|---|---|---|---|---|
| SCHEMBL10406647 | 1.00 | SLC6A1 (0.79) | SLC6A1PTGS1PDE4A | |
| SCHEMBL9526548 | 0.92 | SLC6A1 (0.83) | SLC6A1PTGS1PDE4A | |
| SCHEMBL9526544 | 0.92 | SLC6A1 (0.83) | SLC6A1PTGS1PDE4A | |
| SCHEMBL9525515 | 0.92 | SLC6A1 (0.83) | SLC6A1PTGS1PDE4A | |
| SCHEMBL9525512 | 0.92 | SLC6A1 (0.83) | SLC6A1PTGS1PDE4A | |
| SCHEMBL10406612 | 0.89 | SLC6A1 (0.79) | SLC6A1PTGS1PDE4A | |
| SCHEMBL10406613 | 0.89 | SLC6A1 (0.79) | SLC6A1PTGS1PDE4A | |
| SCHEMBL9773420 | 0.89 | SLC6A1 (0.89) | SLC6A1PTGS1PDE4A | |
| SCHEMBL9773425 | 0.89 | SLC6A1 (0.89) | SLC6A1PTGS1PDE4A | |
| Tiagabine SCHEMBL3272861 | 0.89 | SLC6A1 (1.00) | SLC6A1PTGS1PDE4A |
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-4931450-A | Amino acid derivatives | NOVO INDUSTRI A/S (DK) | 1990-06-05 | — | — | US | disclosed |