Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4520081 | 1.00 | SLC6A3 (0.39) | SLC6A3SLC6A4TRPA1 | |
| SCHEMBL4516285 | 1.00 | SLC6A3 (0.39) | SLC6A3SLC6A4TRPA1 | |
| SCHEMBL4520520 | 0.84 | SLC6A3 (0.41) | SLC6A3SLC6A4 | |
| SCHEMBL4520518 | 0.84 | SLC6A3 (0.41) | SLC6A3SLC6A4 | |
| SCHEMBL4530004 | 0.84 | SLC6A3 (0.41) | SLC6A3SLC6A4 | |
| SCHEMBL4135638 | 0.80 | SLC6A3 (0.42) | SLC6A3SLC6A4 | |
| SCHEMBL4135642 | 0.80 | SLC6A3 (0.42) | SLC6A3SLC6A4 | |
| SCHEMBL4514640 | 0.80 | SLC6A3 (0.36) | SLC6A3SLC6A4TRPA1 | |
| SCHEMBL4524658 | 0.80 | SLC6A3 (0.36) | SLC6A3SLC6A4TRPA1 | |
| SCHEMBL4528562 | 0.78 | SLC6A3 (0.41) | SLC6A3SLC6A4TRPA1 |
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-7476740-B2 | Monoamine transporter inhibitors; used for early diagnosis and treatment of neurological and psychiatric conditions | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2009-01-13 | — | — | US | disclosed |