Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 15/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 15/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14458003 | 0.84 | PDE4A (0.48) | BACE1SLC6A2SLC6A3SLC6A4CYP2D6 | |
| SCHEMBL6985384 | 0.79 | BACE1 (0.40) | BACE1SLC6A2SLC6A3SLC6A4CYP2D6 | |
| SCHEMBL8442229 | 0.78 | SLC6A3 (0.43) | SLC6A2SLC6A3SLC6A4CYP2D6MEN1 | |
| SCHEMBL27047585 | 0.76 | TP53 (0.50) | SLC6A2SLC6A3SLC6A4MRGPRX4MEN1 | |
| SCHEMBL19555030 | 0.75 | SLC6A2 (0.46) | BACE1SLC6A2SLC6A3SLC6A4CYP2D6 | |
| SCHEMBL14264660 | 0.74 | CYP19A1 (0.59) | BACE1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL2155319 | 0.73 | PDE4A (0.56) | BACE1SLC6A2SLC6A3SLC6A4CYP2D6 | |
| SCHEMBL7812648 | 0.72 | SLC6A2 (0.51) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 | |
| SCHEMBL5580256 | 0.70 | TDP1 (0.56) | BACE1SLC6A2SLC6A3SLC6A4CYP2D6 | |
| SCHEMBL21536565 | 0.69 | GSK3B (0.50) | BACE1GAAKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6320051-B1 | AMINO(NH) OR OXYGEN(O) SUBSTITUTED, ENZYME INHIBITORS OF STAPHLOCCOCUS AUREUS METHIONYL T-RNA SYNTHETASE (MRS); ANTIBACTERIAL AGENTS | SMITHKLINE BEECHAM PLC (GB) | 2001-11-20 | — | — | US | disclosed |
| EP-1084110-A1 | QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES | SMITHKLINE BEECHAM PLC (GB) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999055677-A1 | QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES | SMITHKLINE BEECHAM PLC (GB) | 1999-11-04 | — | — | WO | disclosed |