Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.58 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 5/20 | 0.32 |
| ▸ | CA2 | P00918 | 5/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20590973 | 1.00 | COMT (0.58) | COMTPARP1CA1CA2BCHE | |
| SCHEMBL19015270 | 0.91 | COMT (0.66) | COMTPARP1CA1CA2BRD4 | |
| SCHEMBL29642848 | 0.91 | COMT (0.66) | COMTPARP1CA1CA2BRD4 | |
| SCHEMBL18987094 | 0.90 | COMT (0.63) | COMTBCHEACHE | |
| SCHEMBL31514944 | 0.89 | COMT (0.42) | COMTPARP1CA1CA2BCHE | |
| SCHEMBL31514933 | 0.89 | COMT (0.42) | COMTPARP1CA1CA2BCHE | |
| SCHEMBL29642900 | 0.86 | COMT (0.70) | COMTBCHEACHE | |
| SCHEMBL18987262 | 0.86 | COMT (0.70) | COMTBCHEACHE | |
| SCHEMBL18987018 | 0.85 | COMT (0.69) | COMTBCHEACHE | |
| SCHEMBL29642820 | 0.85 | COMT (0.69) | COMTBCHEACHE |
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 2 patents. 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 |
| CN-108698984-B | Bicyclic compounds for use as medicaments, in particular for the treatment of parkinson's disease | H·科斯特 | 2022-05-10 | — | — | CN | disclosed |