Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 2/20 | 0.41 |
| ▸ | TKT | P29401 | 3/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | VCP | P55072 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4618729 | 0.76 | TKT (0.52) | BACE1NOS3NOS1NOS2TKT | |
| SCHEMBL2384178 | 0.76 | BACE1 (0.51) | BACE1NOS3NOS1NOS2TKT | |
| SCHEMBL25357794 | 0.76 | NAPRT (0.45) | BACE1NAPRT | |
| SCHEMBL25357797 | 0.76 | NAPRT (0.45) | BACE1NAPRT | |
| SCHEMBL13699052 | 0.74 | BACE1 (0.41) | BACE1NOS3NOS1NOS2TKT | |
| SCHEMBL30154639 | 0.74 | NOS3 (0.47) | BACE1NOS3NOS1NOS2TKT | |
| SCHEMBL20870720 | 0.74 | TYR (0.46) | TYRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10130647 | 0.74 | NOS3 (0.47) | BACE1NOS3NOS1NOS2TKT | |
| SCHEMBL317658 | 0.74 | BACE1 (0.53) | BACE1NOS3NOS1NOS2TKT | |
| SCHEMBL8049756 | 0.73 | BACE1 (0.49) | BACE1NOS3NOS1NOS2TKT |
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 |
|---|---|---|---|---|---|---|---|
| CN-111566078-B | Comprising selective removal of Cu from butynediol starting material ++ Ionic improved process for the production of butanediol | 科氏技术英国有限公司 | 2023-02-14 | — | — | CN | disclosed |
| CN-111566078-A | Comprising selective removal of Cu from butynediol starting material++Ionic improved process for the production of butanediol | 英威达纺织（英国）有限公司 | 2020-08-21 | — | — | CN | disclosed |