Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 19/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 12/20 | 0.48 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5872404 | 0.98 | SLC6A2 (0.60) | SLC6A2SLC6A4CYP2D6SLC6A3DPP4 | |
| SCHEMBL5127083 | 0.87 | SLC6A2 (0.72) | SLC6A2SLC6A4CYP2D6SLC6A3KCNH2 | |
| SCHEMBL5115998 | 0.79 | SLC6A4 (0.87) | SLC6A2SLC6A4CYP2D6SLC6A3KCNH2 | |
| SCHEMBL4489486 | 0.75 | SLC6A4 (1.00) | SLC6A2SLC6A4CYP2D6SLC6A3KCNH2 | |
| SCHEMBL10709827 | 0.72 | SLC6A2 (0.56) | SLC6A2SLC6A4CYP2D6SLC6A3 | |
| SCHEMBL11115148 | 0.72 | SLC6A2 (0.56) | SLC6A2SLC6A4CYP2D6SLC6A3 | |
| SCHEMBL10599324 | 0.71 | ALDH1A1 (0.50) | SLC6A2SLC6A4SLC6A3DPP4 | |
| Hydrochloric Acid SCHEMBL27637037 | 0.71 | SLC6A2 (0.54) | SLC6A2SLC6A4CYP2D6SLC6A3 | |
| SCHEMBL5997531 | 0.70 | SLC6A2 (0.57) | SLC6A2SLC6A4CYP2D6SLC6A3KCNH2 | |
| SCHEMBL3118209 | 0.70 | SLC6A2 (0.45) | SLC6A2SLC6A4CYP2D6SLC6A3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7012075-B2 | Cathepsin cysteine protease inhibitors | MERCK & CO., INC. (US) | 2006-03-14 | — | — | US | disclosed |