Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.57 |
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18952912 | 0.92 | HSP90AA1 (0.56) | COMTHSP90AA1HSP90AB1USP2CYP1A2 | |
| SCHEMBL18965688 | 0.84 | HSP90AA1 (0.49) | COMTHSP90AA1HSP90AB1USP2CYP1A2 | |
| SCHEMBL23640265 | 0.82 | HSP90AA1 (0.54) | COMTHSP90AA1HSP90AB1CYP1A2LMNA | |
| SCHEMBL19015263 | 0.80 | COMT (0.65) | COMTHSP90AA1HSP90AB1USP2CYP1A2 | |
| SCHEMBL19015279 | 0.79 | KDM4E (0.55) | COMTHSP90AA1HSP90AB1USP2CYP1A2 | |
| SCHEMBL31514945 | 0.75 | COMT (1.00) | COMTHSP90AA1HSP90AB1CYP1A2LMNA | |
| SCHEMBL18987117 | 0.75 | COMT (1.00) | COMTHSP90AA1HSP90AB1CYP1A2LMNA | |
| SCHEMBL7989100 | 0.73 | GRIN2D (0.59) | COMTHSP90AA1HSP90AB1USP2CYP1A2 | |
| SCHEMBL29478348 | 0.72 | TSHR (0.62) | HSP90AA1HSP90AB1LMNAHPGDHSD17B10 | |
| SCHEMBL288796 | 0.72 | TSHR (0.62) | HSP90AA1HSP90AB1LMNAHPGDHSD17B10 |
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 |