Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY1 | P47900 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CARM1 | Q86X55 | 2/20 | 0.36 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25283525 | 1.00 | P2RY1 (0.41) | P2RY1SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL21831822 | 0.81 | SLC6A2 (0.44) | P2RY1SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL1631148 | 0.81 | ACHE (0.47) | P2RY1MAPTCES2CES1ACHE | |
| SCHEMBL25241561 | 0.77 | PSEN1 (0.36) | CES2CES1 | |
| SCHEMBL4117333 | 0.73 | CYP3A4 (0.43) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL25227231 | 0.72 | CYP2D6 (0.45) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL23363180 | 0.72 | CYP2D6 (0.45) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL29757465 | 0.72 | CYP2D6 (0.45) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL23363181 | 0.72 | CYP2D6 (0.45) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL1632053 | 0.72 | MAPT (0.47) | SLC6A2SLC6A4SLC6A3MAPTCES2 |
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-118525018-A | Bialkyne compound and application thereof | 上海艾力斯医药科技股份有限公司 | 2024-08-20 | — | — | CN | disclosed |