Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.65 |
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19015264 | 0.81 | COMT (0.47) | COMTHSP90AA1HSP90AB1LMNARECQL | |
| SCHEMBL19015262 | 0.80 | COMT (0.57) | COMTHSP90AA1HSP90AB1LMNARECQL | |
| SCHEMBL31514945 | 0.79 | COMT (1.00) | COMTHSP90AA1HSP90AB1LMNARECQL | |
| SCHEMBL18987117 | 0.79 | COMT (1.00) | COMTHSP90AA1HSP90AB1LMNARECQL | |
| SCHEMBL18952912 | 0.77 | HSP90AA1 (0.56) | COMTHSP90AA1HSP90AB1LMNARECQL | |
| SCHEMBL18965688 | 0.73 | HSP90AA1 (0.49) | COMTHSP90AA1HSP90AB1LMNARECQL | |
| SCHEMBL23640265 | 0.71 | HSP90AA1 (0.54) | COMTHSP90AA1HSP90AB1LMNAHPGD | |
| SCHEMBL29642891 | 0.70 | COMT (0.79) | COMTHSP90AA1HSP90AB1LMNARECQL | |
| SCHEMBL18987105 | 0.70 | COMT (0.79) | COMTHSP90AA1HSP90AB1LMNARECQL | |
| SCHEMBL31514942 | 0.69 | COMT (0.76) | COMTHSP90AA1HSP90AB1LMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017103278-A1 | NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE | CAPROTEC BIOANALYTICS GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |