Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 18/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 18/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.52 |
| ▸ | MBTPS1 | Q14703 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL476885 | 0.86 | SLC6A2 (0.60) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL476886 | 0.86 | SLC6A2 (0.60) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL18342235 | 0.86 | SLC6A2 (0.60) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| Oxalic Acid SCHEMBL1624804 | 0.84 | SLC6A2 (0.57) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL653216 | 0.79 | MBTPS1 (0.56) | SLC6A2SLC6A4KCNH2SLC6A3MBTPS1 | |
| SCHEMBL653217 | 0.79 | MBTPS1 (0.56) | SLC6A2SLC6A4KCNH2SLC6A3MBTPS1 | |
| SCHEMBL2727813 | 0.78 | CTSD (0.55) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL5143426 | 0.78 | CTSD (0.55) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL1623585 | 0.78 | CTSD (0.55) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL4132155 | 0.77 | SLC6A2 (0.60) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2435037-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-04-04 | — | — | EP | disclosed |
| WO-2010138338-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-12-02 | — | — | WO | disclosed |