Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRS3 | P32247 | 8/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7936788 | 0.88 | SLC6A2 (0.46) | BRS3SLC6A2SLC6A4SLC6A3MAPKAPK2 | |
| SCHEMBL7933791 | 0.88 | SLC6A2 (0.53) | BRS3SLC6A2SLC6A4KCNH2SLC6A3 | |
| Hydrochloric Acid SCHEMBL7936709 | 0.88 | SLC6A2 (0.46) | BRS3SLC6A2SLC6A4SLC6A3MAPKAPK2 | |
| SCHEMBL7933715 | 0.83 | MAPKAPK2 (0.41) | BRS3SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL7937465 | 0.81 | SLC6A2 (0.54) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL7937463 | 0.80 | SLC6A2 (0.53) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL7936809 | 0.78 | SLC6A2 (0.46) | BRS3SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL7935967 | 0.76 | SLC6A2 (0.48) | BRS3SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL7841577 | 0.74 | NOS2 (0.47) | BRS3SLC6A2SLC6A4SLC6A3MAPKAPK2 | |
| Hydrochloric Acid SCHEMBL7845559 | 0.69 | NOS2 (0.43) | BRS3SLC6A2SLC6A4SLC6A3MAPKAPK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001017992-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2001-03-15 | — | — | WO | disclosed |