Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | AOC2 | O75106 | 5/20 | 0.31 |
| ▸ | MAOA | P21397 | 5/20 | 0.31 |
| ▸ | MAOB | P27338 | 5/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7477080 | 0.75 | CA2 (0.40) | CA2AOC2MAOAMAOBDAO | |
| SCHEMBL1081936 | 0.75 | PSEN1 (0.39) | — | |
| SCHEMBL11043386 | 0.71 | CA2 (0.47) | CA2 | |
| SCHEMBL10664459 | 0.69 | MEN1 (0.36) | CA2AOC2MAOAMAOB | |
| SCHEMBL18493846 | 0.67 | HRH3 (0.36) | HRH3AOC2MAOAMAOBDAO | |
| SCHEMBL9878082 | 0.66 | HRH3 (0.42) | HRH3AOC2MAOAMAOB | |
| SCHEMBL449445 | 0.66 | MAOA (0.37) | AOC2MAOAMAOBDAO | |
| SCHEMBL2449240 | 0.66 | MAOA (0.37) | HRH3AOC2MAOAMAOBDAO | |
| SCHEMBL3568565 | 0.65 | MAOA (0.33) | HRH3AOC2MAOAMAOBDAO | |
| SCHEMBL2452704 | 0.65 | HRH3 (0.37) | HRH3CA2AOC2MAOAMAOB |
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-4558129-A | Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade | SYNTEX (U.S.A.) INC. (US) | 1985-12-10 | — | — | US | disclosed |