Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 16/20 | 0.59 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5607146 | 0.83 | TDP1 (0.42) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL20032404 | 0.77 | SLC6A4 (0.63) | SLC6A4CYP17A1MAOASLC6A2SLC6A3 | |
| SCHEMBL28546386 | 0.77 | SLC6A4 (0.50) | SLC6A4MAOASLC6A2SLC6A3 | |
| SCHEMBL20025698 | 0.76 | SLC6A4 (0.61) | SLC6A4MAOASLC6A2SLC6A3 | |
| SCHEMBL29657170 | 0.76 | SLC6A4 (0.61) | SLC6A4MAOASLC6A2SLC6A3 | |
| SCHEMBL6203092 | 0.75 | TSHR (0.48) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL9398857 | 0.75 | ALDH1A1 (0.43) | SLC6A2SLC6A3 | |
| SCHEMBL6560714 | 0.74 | SLC6A4 (0.59) | SLC6A4CYP17A1MAOASLC6A2SLC6A3 | |
| SCHEMBL7360258 | 0.73 | AOC3 (0.38) | SLC6A4CYP17A1SLC6A2SLC6A3 | |
| SCHEMBL28270153 | 0.73 | ESR1 (0.60) | SLC6A2SLC6A3 |
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-4316905-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1982-02-23 | — | — | US | disclosed |