Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 9/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.40 |
| ▸ | NOS2 | P35228 | 8/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | F11 | P03951 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6575059 | 0.80 | NOS2 (0.53) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| Oxalic Acid SCHEMBL6576500 | 0.76 | NOS2 (0.58) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL7604472 | 0.71 | NOS2 (0.43) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL7608216 | 0.70 | NOS2 (0.42) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL4678021 | 0.68 | KDM4E (0.54) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL7604530 | 0.67 | NOS2 (0.43) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL4857820 | 0.66 | AR (0.53) | CYP2D6SLC6A2SLC6A4NOS2KDM4E | |
| SCHEMBL7608154 | 0.65 | CYP2D6 (0.40) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL1306764 | 0.65 | IDH1 (0.53) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL22445567 | 0.64 | FAAH (0.44) | CYP2D6SLC6A2SLC6A4NPC1MAPT |
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-1263714-A1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001062713-A1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | WO | disclosed |