Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | TDO2 | P48775 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL5220341 | 0.82 | AOC3 (0.44) | AOC3SLC6A2SLC6A4SLC6A3IDO1 | |
| SCHEMBL8171991 | 0.82 | CYP19A1 (0.38) | CYP19A1SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL2065578 | 0.81 | GSR (0.47) | CYP19A1TRPA1SLC6A4HPGD | |
| SCHEMBL2065580 | 0.81 | GSR (0.47) | CYP19A1TRPA1SLC6A4HPGD | |
| SCHEMBL5350841 | 0.79 | AOC3 (0.41) | AOC3CYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5350840 | 0.79 | AOC3 (0.42) | AOC3CYP19A1ALDH1A1MAPTHTT | |
| SCHEMBL5350835 | 0.74 | AOC3 (0.38) | AOC3CYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1154822 | 0.70 | CYP3A4 (0.47) | — | |
| SCHEMBL4729832 | 0.70 | AOC3 (0.39) | AOC3TRPA1SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL5223462 | 0.68 | AOC3 (0.37) | AOC3TRPA1SLC6A2SLC6A4SLC6A3 |
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-1765810-A1 | 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY | Decode Chemistry, Inc. (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005123724-A1 | 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY | DECODE CHEMISTRY, INC. (US) | 2005-12-29 | — | — | WO | disclosed |