Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 12/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.35 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.33 |
| ▸ | BCL2A1 | Q16548 | 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 | |
|---|---|---|---|---|
| SCHEMBL6488974 | 0.83 | NOS2 (0.64) | NOS2CYP2D6SLC6A2SLC6A4KCNH2 | |
| Oxalic Acid SCHEMBL6500140 | 0.81 | NOS2 (0.58) | NOS2CYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL6579142 | 0.81 | CYP2D6 (0.41) | NOS2CYP2D6SLC6A2SLC6A4TRPA1 | |
| SCHEMBL6575167 | 0.80 | SLC6A4 (0.53) | NOS2CYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL7687085 | 0.80 | NOS2 (0.53) | NOS2CYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL6490433 | 0.80 | NOS2 (0.53) | NOS2CYP2D6SLC6A2SLC6A4KCNH2 | |
| Oxalic Acid SCHEMBL6503263 | 0.80 | NOS2 (0.57) | NOS2CYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL6491446 | 0.80 | NOS2 (0.72) | NOS2CYP2D6SLC6A2SLC6A4KCNH2 | |
| Fumaric Acid SCHEMBL6576580 | 0.79 | NOS2 (0.51) | NOS2CYP2D6SLC6A2SLC6A4KCNH2 | |
| Fumaric Acid SCHEMBL6576574 | 0.79 | NOS2 (0.51) | NOS2CYP2D6SLC6A2SLC6A4KCNH2 |
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 |