Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL13544941 | 1.00 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL14593819 | 1.00 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL13544648 | 0.83 | ALDH1A1 (0.43) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL13544642 | 0.83 | ALDH1A1 (0.43) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL14311906 | 0.82 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL14311983 | 0.80 | ALDH1A1 (0.38) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL16786551 | 0.78 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL16786554 | 0.78 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL26723933 | 0.75 | HRH3 (0.33) | ALDH1A1 | |
| SCHEMBL26723932 | 0.75 | HRH3 (0.33) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |
| US-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |