Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 15/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1740689 | 0.90 | S1PR1 (0.42) | S1PR1S1PR3S1PR4S1PR5ALDH1A1 | |
| SCHEMBL1739720 | 0.89 | S1PR1 (0.48) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL1739244 | 0.85 | S1PR1 (0.46) | S1PR1S1PR3S1PR4S1PR5ALDH1A1 | |
| SCHEMBL1741625 | 0.85 | LTA4H (0.40) | S1PR1S1PR3S1PR4S1PR5ALDH1A1 | |
| SCHEMBL1739234 | 0.81 | S1PR1 (0.50) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL1739312 | 0.81 | S1PR1 (0.52) | S1PR1S1PR3S1PR4S1PR5ALDH1A1 | |
| SCHEMBL1738358 | 0.80 | S1PR1 (0.41) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL1739731 | 0.78 | S1PR1 (0.44) | S1PR1S1PR3ALDH1A1NPC1RAB9A | |
| SCHEMBL1738095 | 0.77 | S1PR1 (0.49) | S1PR1S1PR3S1PR4S1PR5 | |
| SCHEMBL1740593 | 0.76 | S1PR1 (0.43) | S1PR1S1PR3S1PR4S1PR5SMN1; SMN2 |
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 6 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 |
| 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 |
| WO-2011144338-A1 | PYRAZOLE DERIVATIVES AS S1P1 AGONISTS | ALMIRALL, S.A. (ES) | 2011-11-24 | — | — | WO | disclosed |