Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8102565 | 0.90 | MAOB (0.50) | DRD2MAOBHTR1A | |
| SCHEMBL7083799 | 0.89 | MAOB (0.52) | DRD2MAOBHTR1A | |
| SCHEMBL30022123 | 0.82 | POLB (0.54) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL31491177 | 0.80 | SIGMAR1 (0.43) | SIGMAR1MAOBHTR1A | |
| Hydrochloric Acid SCHEMBL31491133 | 0.77 | HTR1A (0.48) | SIGMAR1MAOBHTR1A | |
| SCHEMBL30595375 | 0.74 | POLB (0.50) | ALDH1A1 | |
| SCHEMBL1001751 | 0.74 | POLB (0.50) | ALDH1A1 | |
| SCHEMBL83222 | 0.72 | ALDH1A1 (0.49) | ALDH1A1 | |
| SCHEMBL6193007 | 0.72 | ALDH1A1 (0.49) | ALDH1A1 | |
| SCHEMBL29643230 | 0.72 | ALDH1A1 (0.49) | ALDH1A1 |
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-6057371-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-05-02 | — | — | US | disclosed |