Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 15/20 | 0.70 |
| ▸ | NOS2 | P35228 | 14/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6501468 | 1.00 | SLC6A4 (0.70) | SLC6A4NOS2CYP2D6SLC6A2KCNH2 | |
| Oxalic Acid SCHEMBL6500986 | 0.95 | NOS2 (0.72) | SLC6A4NOS2CYP2D6SLC6A2KCNH2 | |
| SCHEMBL6497216 | 0.88 | SLC6A4 (0.53) | SLC6A4NOS2CYP2D6SLC6A2KCNH2 | |
| SCHEMBL7690513 | 0.88 | SLC6A4 (0.53) | SLC6A4NOS2CYP2D6SLC6A2KCNH2 | |
| SCHEMBL6489677 | 0.86 | SLC6A2 (0.52) | SLC6A4NOS2CYP2D6SLC6A2KCNH2 | |
| SCHEMBL6499514 | 0.86 | NOS2 (0.52) | SLC6A4NOS2CYP2D6SLC6A2KCNH2 | |
| SCHEMBL7646456 | 0.86 | NOS2 (0.52) | SLC6A4NOS2CYP2D6SLC6A2KCNH2 | |
| SCHEMBL7679899 | 0.86 | SLC6A2 (0.52) | SLC6A4NOS2CYP2D6SLC6A2KCNH2 | |
| SCHEMBL6490961 | 0.85 | SLC6A4 (0.76) | SLC6A4NOS2CYP2D6SLC6A2KCNH2 | |
| Oxalic Acid SCHEMBL6492554 | 0.84 | NOS2 (0.57) | SLC6A4NOS2CYP2D6SLC6A2KCNH2 |
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-1263711-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001062704-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | WO | disclosed |