Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.46 |
| ▸ | HTR2A | P28223 | 4/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.46 |
| ▸ | HRH1 | P35367 | 4/20 | 0.46 |
| ▸ | DRD3 | P35462 | 4/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7754343 | 0.94 | CYP3A4 (0.53) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| Hydrochloric Acid SCHEMBL7542285 | 0.93 | MEN1 (0.54) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL7751395 | 0.90 | CYP3A4 (0.49) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL8615736 | 0.90 | CYP3A4 (0.51) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL4760958 | 0.90 | CYP3A4 (0.51) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL8616378 | 0.90 | CYP3A4 (0.51) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL7754348 | 0.89 | SLC6A3 (0.52) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| SCHEMBL7754861 | 0.89 | DRD3 (0.48) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| Hydrochloric Acid SCHEMBL8867248 | 0.89 | MEN1 (0.52) | CYP3A4CYP2D6FAAHTSHRALOX12 | |
| Hydrochloric Acid SCHEMBL7543578 | 0.89 | MEN1 (0.52) | CYP3A4CYP2D6FAAHTSHRALOX12 |
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-0706796-B1 | DOPAMINE RE-UPTAKE INHIBITORS FOR THE TREATMENT OF PARKINSON'S SYNDROME | POLA CHEM IND INC (JP) | 2001-02-28 | — | — | EP | claimed |
| EP-0706796-A1 | DOPAMINE REINCORPORATION INHIBITOR | POLA CHEMICAL INDUSTRIES, INC. (JP) | 1996-04-17 | — | — | EP | claimed |