Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 13/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 11/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1739234 | 0.91 | S1PR1 (0.50) | S1PR1S1PR3PRCPS1PR4S1PR5 | |
| SCHEMBL1738095 | 0.88 | S1PR1 (0.49) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL1741621 | 0.85 | S1PR1 (0.53) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL1738358 | 0.84 | S1PR1 (0.41) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL1739403 | 0.84 | S1PR1 (0.44) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL1740593 | 0.84 | S1PR1 (0.43) | S1PR1S1PR3S1PR4S1PR5LMNA | |
| SCHEMBL1739217 | 0.83 | S1PR1 (0.43) | S1PR1S1PR3PRCPS1PR4KCNH2 | |
| SCHEMBL1739760 | 0.83 | S1PR1 (0.43) | S1PR1S1PR3 | |
| SCHEMBL1738075 | 0.83 | S1PR1 (0.58) | S1PR1S1PR3S1PR5 | |
| SCHEMBL1739204 | 0.83 | S1PR1 (0.44) | S1PR1S1PR3PRCPS1PR4S1PR5 |
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 |