Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | AKT2 | P31751 | 1/20 | 0.32 |
| ▸ | CLK2 | P49760 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | PRKX | P51817 | 1/20 | 0.32 |
| ▸ | NEK4 | P51957 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6931200 | 0.67 | BACE1 (0.38) | BACE1AURKBCTSDBACE2 | |
| SCHEMBL6161488 | 0.59 | TGFBR1 (0.40) | PKN2MAP3K14GRM2 | |
| SCHEMBL7264592 | 0.56 | AURKA (0.37) | BACE1ROCK1GSK3BROCK2MAP4K4 | |
| SCHEMBL8202810 | 0.56 | SLC6A4 (0.45) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7608841 | 0.55 | GAA (0.38) | BACE1ROCK1PKN2AURKBCDC7 | |
| SCHEMBL13389684 | 0.54 | SLC6A4 (0.40) | SLC6A2SLC6A4SLC6A3 | |
| Ammonia Solution, Strong SCHEMBL5999697 | 0.54 | SLC6A4 (0.50) | AKT1MEN1KMT2ASLC6A2SLC6A4 | |
| SCHEMBL17290926 | 0.54 | TSHR (0.34) | BACE1TSHRCTSD | |
| SCHEMBL16298324 | 0.53 | SLC6A4 (0.76) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11236462 | 0.53 | PDE4A (0.50) | PKN2AURKBMEN1KMT2ACDC7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1542680-A1 | 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS | Amgen Inc. (US) | 2005-06-22 | — | — | EP | claimed |
| WO-2004022055-A1 | 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS | AMGEN INC. (US) | 2004-03-18 | — | — | WO | claimed |
| EP-1542680-A1 | 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS | Amgen Inc. (US) | 2005-06-22 | — | — | EP | disclosed |
| WO-2004022055-A1 | 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS | AMGEN INC. (US) | 2004-03-18 | — | — | WO | disclosed |