Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 17/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1738177 | 0.92 | S1PR1 (0.41) | S1PR1S1PR3KCNH2S1PR4S1PR5 | |
| SCHEMBL1738132 | 0.77 | S1PR1 (0.47) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL1740595 | 0.77 | S1PR1 (0.49) | S1PR1S1PR3KCNH2S1PR4S1PR5 | |
| SCHEMBL1740696 | 0.76 | S1PR1 (0.44) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL1741103 | 0.74 | S1PR1 (0.46) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL12154441 | 0.72 | S1PR1 (0.40) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL1741300 | 0.71 | S1PR1 (0.52) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL6123040 | 0.71 | S1PR1 (0.39) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL1738176 | 0.70 | ALDH1A1 (0.45) | S1PR1S1PR3 | |
| SCHEMBL1739401 | 0.69 | ALDH1A1 (0.42) | S1PR1S1PR3S1PR4S1PR5 |
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-2390252-A1 | New pyrazole derivatives | Almirall, S.A. (ES) | 2011-11-30 | — | — | EP | claimed |
| WO-2011144338-A1 | PYRAZOLE DERIVATIVES AS S1P1 AGONISTS | ALMIRALL, S.A. (ES) | 2011-11-24 | — | — | WO | claimed |
| 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 |