Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 16/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 13/20 | 0.54 |
| ▸ | NOS2 | P35228 | 12/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | KLF10 | Q13118 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6491310 | 1.00 | SLC6A4 (0.54) | SLC6A4CYP2D6SLC6A2NOS2KCNH2 | |
| Oxalic Acid SCHEMBL6491863 | 0.96 | SLC6A4 (0.59) | SLC6A4CYP2D6SLC6A2NOS2KCNH2 | |
| SCHEMBL6492748 | 0.88 | SLC6A4 (0.72) | SLC6A4CYP2D6SLC6A2NOS2KCNH2 | |
| SCHEMBL7689280 | 0.88 | SLC6A4 (0.72) | SLC6A4CYP2D6SLC6A2NOS2KCNH2 | |
| SCHEMBL6491866 | 0.88 | SLC6A4 (0.53) | SLC6A4CYP2D6SLC6A2NOS2KCNH2 | |
| SCHEMBL7693316 | 0.87 | NOS2 (0.40) | SLC6A4CYP2D6SLC6A2NOS2KCNH2 | |
| SCHEMBL6504623 | 0.87 | SLC6A2 (0.40) | SLC6A4CYP2D6SLC6A2NOS2KCNH2 | |
| SCHEMBL7174582 | 0.87 | SLC6A2 (0.40) | SLC6A4CYP2D6SLC6A2NOS2KCNH2 | |
| SCHEMBL6504032 | 0.87 | NOS2 (0.40) | SLC6A4CYP2D6SLC6A2NOS2KCNH2 | |
| Oxalic Acid SCHEMBL6488920 | 0.85 | SLC6A2 (0.46) | SLC6A4CYP2D6SLC6A2NOS2KCNH2 |
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 |