Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.40 |
| ▸ | NOS2 | P35228 | 6/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6981734 | 0.80 | SLC6A4 (0.40) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL6576739 | 0.76 | NOS2 (0.54) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL6577444 | 0.74 | NOS2 (0.58) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL1306764 | 0.73 | IDH1 (0.53) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| Oxalic Acid SCHEMBL6577420 | 0.72 | NOS2 (0.61) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL6577431 | 0.69 | NOS2 (0.69) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL6577426 | 0.69 | NOS2 (0.54) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL6575190 | 0.68 | NOS2 (0.58) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| Oxalic Acid SCHEMBL6575173 | 0.67 | NOS2 (0.65) | CYP2D6SLC6A2SLC6A4NOS2KCNH2 | |
| SCHEMBL7608216 | 0.66 | 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 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 | claimed |
| WO-2001062713-A1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | WO | claimed |