Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 5/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.51 |
| ▸ | HTR1B | P28222 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL2607 | 0.99 | CACNA2D1 (0.56) | CACNA2D1SLC6A4SLC6A2HTR1B | |
| Oxalic Acid SCHEMBL3521 | 0.94 | CACNA2D1 (0.52) | CACNA2D1SLC6A4SLC6A2HTR1B | |
| SCHEMBL9995405 | 0.86 | SLC6A4 (0.67) | CACNA2D1SLC6A4SLC6A2HTR1B | |
| Bromide SCHEMBL6726247 | 0.85 | SLC6A4 (0.65) | CACNA2D1SLC6A4SLC6A2HTR1B | |
| Hydrochloric Acid SCHEMBL7771743 | 0.82 | SLC6A4 (0.73) | CACNA2D1SLC6A4SLC6A2 | |
| Iodide SCHEMBL5307270 | 0.81 | CACNA2D1 (0.39) | CACNA2D1SLC6A4SLC6A2 | |
| Oxalic Acid SCHEMBL3770 | 0.78 | SLC6A4 (0.69) | CACNA2D1SLC6A4SLC6A2 | |
| Maleic Acid SCHEMBL7311827 | 0.78 | SLC6A2 (0.56) | SLC6A4SLC6A2HTR1B | |
| SCHEMBL3522 | 0.77 | MAPK1 (0.41) | CACNA2D1SLC6A4SLC6A2 | |
| SCHEMBL3458 | 0.77 | SLC6A2 (0.71) | CACNA2D1SLC6A4SLC6A2HTR1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008133884-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | COMBINATORX, INCORPORATED (US) | 2008-11-06 | — | — | WO | disclosed |