Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 7/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.31 |
| ▸ | WNT1 | P04628 | 1/20 | 0.31 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1739767 | 0.85 | S1PR1 (0.35) | S1PR1S1PR3PRCPAVPR1B | |
| SCHEMBL1738478 | 0.82 | S1PR1 (0.39) | S1PR1S1PR3 | |
| SCHEMBL12154375 | 0.79 | S1PR1 (0.30) | S1PR1 | |
| SCHEMBL1741165 | 0.77 | LMNA (0.38) | — | |
| SCHEMBL1740711 | 0.74 | — | — | |
| SCHEMBL1739901 | 0.74 | S1PR1 (0.46) | S1PR1S1PR3 | |
| SCHEMBL12181281 | 0.74 | — | — | |
| SCHEMBL1739388 | 0.72 | PTGS1 (0.32) | — | |
| SCHEMBL1740712 | 0.71 | S1PR1 (0.38) | S1PR1S1PR3 | |
| SCHEMBL1739287 | 0.71 | S1PR1 (0.39) | S1PR1S1PR3 |
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 |