Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 11/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | MARK3 | P27448 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.40 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.40 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.40 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1740694 | 0.92 | S1PR1 (0.48) | S1PR1S1PR3DYRK3MAP4K4ERBB2 | |
| SCHEMBL1739399 | 0.89 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2S1PR1S1PR3KDM4E | |
| SCHEMBL1739595 | 0.86 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2S1PR1S1PR3KDM4E | |
| SCHEMBL1740183 | 0.83 | MAP4K4 (0.46) | S1PR1S1PR3DYRK3MAP4K4ERBB2 | |
| SCHEMBL12181266 | 0.81 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2S1PR1S1PR3DYRK3 | |
| SCHEMBL1738130 | 0.81 | S1PR1 (0.44) | S1PR1S1PR3DYRK3MAP4K4ERBB2 | |
| SCHEMBL2596916 | 0.80 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2S1PR1S1PR3DYRK3 | |
| SCHEMBL1738176 | 0.78 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2S1PR1S1PR3KDM4E | |
| SCHEMBL1740719 | 0.78 | S1PR1 (0.44) | S1PR1S1PR3DYRK3MAP4K4ERBB2 | |
| SCHEMBL1739392 | 0.77 | S1PR1 (0.39) | ALDH1A1SMN1; SMN2S1PR1S1PR3DYRK3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2390252-A1 | New pyrazole derivatives | Almirall, S.A. (ES) | 2011-11-30 | — | — | EP | disclosed |
| EP-2390252-A1 | New pyrazole derivatives | Almirall, S.A. (ES) | 2011-11-30 | — | — | EP | disclosed |
| WO-2011144338-A1 | PYRAZOLE DERIVATIVES AS S1P1 AGONISTS | ALMIRALL, S.A. (ES) | 2011-11-24 | — | — | WO | disclosed |