Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31514939 | 1.00 | COMT (0.50) | COMTTSHRBCHEACHEHPGD | |
| SCHEMBL31514937 | 0.94 | COMT (0.49) | COMTTSHRBCHEACHEHPGD | |
| SCHEMBL31514933 | 0.86 | COMT (0.42) | COMTBCHEACHEHSP90AA1HSP90AB1 | |
| SCHEMBL31514944 | 0.86 | COMT (0.42) | COMTBCHEACHEHSP90AA1HSP90AB1 | |
| SCHEMBL18987262 | 0.86 | COMT (0.70) | COMTBCHEACHEHPGDALDH1A1 | |
| SCHEMBL29642900 | 0.86 | COMT (0.70) | COMTBCHEACHEHPGDALDH1A1 | |
| SCHEMBL31514941 | 0.85 | COMT (0.43) | COMTBCHEACHEHSP90AA1HSP90AB1 | |
| SCHEMBL31514938 | 0.85 | COMT (0.55) | COMTTSHRHPGDALDH1A1GAA | |
| SCHEMBL31514936 | 0.83 | COMT (0.70) | COMTHPGDALDH1A1HSP90AA1HSP90AB1 | |
| SCHEMBL31514932 | 0.80 | COMT (0.55) | COMTTSHRHPGDALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3390351-B1 | NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE | KOESTER HUBERT (DE) | 2025-02-26 | — | — | EP | claimed |