Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 4/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL4515037 | 1.00 | SLC6A3 (0.41) | SLC6A3SLC6A4TRPA1DRD4DRD2 | |
| SCHEMBL4514635 | 1.00 | SLC6A3 (0.41) | SLC6A3SLC6A4TRPA1DRD4DRD2 | |
| SCHEMBL4528031 | 0.89 | SLC6A3 (0.41) | SLC6A3SLC6A4 | |
| SCHEMBL4519483 | 0.89 | SLC6A3 (0.41) | SLC6A3SLC6A4 | |
| SCHEMBL4519482 | 0.89 | SLC6A3 (0.41) | SLC6A3SLC6A4 | |
| SCHEMBL4529963 | 0.84 | SLC6A3 (0.45) | SLC6A3SLC6A4 | |
| SCHEMBL4512317 | 0.84 | SLC6A3 (0.43) | SLC6A3SLC6A4 | |
| SCHEMBL4519848 | 0.84 | SLC6A3 (0.43) | SLC6A3SLC6A4 | |
| SCHEMBL4512320 | 0.84 | SLC6A3 (0.43) | SLC6A3SLC6A4 | |
| SCHEMBL4529961 | 0.84 | SLC6A3 (0.45) | SLC6A3SLC6A4 |
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 |