Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.43 |
| ▸ | NOS2 | P35228 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 12/20 | 0.38 |
| ▸ | CTSA | P10619 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6499874 | 0.78 | SLC6A4 (0.64) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL6491983 | 0.78 | SLC6A4 (0.64) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| Hydrochloric Acid SCHEMBL6502192 | 0.77 | SLC6A4 (0.64) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL6499946 | 0.74 | NOS2 (0.61) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| Oxalic Acid SCHEMBL6491445 | 0.73 | NOS2 (0.60) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| Hydrochloric Acid SCHEMBL6493136 | 0.73 | NOS2 (0.60) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL6576551 | 0.72 | NOS2 (0.54) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL7071821 | 0.72 | NOS2 (0.47) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| Hydrochloric Acid SCHEMBL6576519 | 0.72 | NOS2 (0.53) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL7608216 | 0.70 | NOS2 (0.42) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003523988-A | — | — | 2003-08-12 | — | — | JP | claimed |
| EP-1263711-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | claimed |
| WO-2001062704-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | WO | claimed |