Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 2/20 | 0.69 |
| ▸ | BCHE | P06276 | 3/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18986844 | 1.00 | COMT (0.69) | COMTBCHEACHENPC1HPGD | |
| SCHEMBL18987262 | 0.92 | COMT (0.70) | COMTBCHEACHENPC1HPGD | |
| SCHEMBL29642900 | 0.92 | COMT (0.70) | COMTBCHEACHENPC1HPGD | |
| SCHEMBL29642820 | 0.91 | COMT (0.69) | COMTBCHEACHENPC1HPGD | |
| SCHEMBL18987018 | 0.91 | COMT (0.69) | COMTBCHEACHENPC1HPGD | |
| SCHEMBL18987094 | 0.89 | COMT (0.63) | COMTBCHEACHEFTO | |
| SCHEMBL18987105 | 0.84 | COMT (0.79) | COMTNPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL29642891 | 0.84 | COMT (0.79) | COMTNPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL20590973 | 0.84 | COMT (0.58) | COMTBCHEACHE | |
| SCHEMBL29642781 | 0.84 | COMT (0.58) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |