Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 19/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5872393 | 0.98 | SLC6A2 (0.59) | SLC6A2SLC6A4CYP2D6SLC6A3DPP4 | |
| SCHEMBL5127083 | 0.86 | SLC6A2 (0.72) | SLC6A2SLC6A4CYP2D6SLC6A3KCNH2 | |
| SCHEMBL5115998 | 0.81 | SLC6A4 (0.87) | SLC6A2SLC6A4CYP2D6SLC6A3KCNH2 | |
| SCHEMBL4489486 | 0.77 | SLC6A4 (1.00) | SLC6A2SLC6A4CYP2D6SLC6A3KCNH2 | |
| SCHEMBL3118209 | 0.71 | SLC6A2 (0.45) | SLC6A2SLC6A4CYP2D6SLC6A3KCNH2 | |
| SCHEMBL3464186 | 0.71 | DPP4 (0.54) | SLC6A2SLC6A4CYP2D6DPP4 | |
| SCHEMBL9446202 | 0.71 | TACR1 (0.64) | SLC6A2SLC6A4CYP2D6SLC6A3DPP4 | |
| SCHEMBL7509245 | 0.70 | CYP2D6 (0.49) | SLC6A2SLC6A4CYP2D6SLC6A3DPP4 | |
| SCHEMBL11115148 | 0.69 | SLC6A2 (0.56) | SLC6A2SLC6A4CYP2D6SLC6A3 | |
| SCHEMBL10709827 | 0.69 | SLC6A2 (0.56) | SLC6A2SLC6A4CYP2D6SLC6A3 |
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 |