Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1739403 | 0.92 | S1PR1 (0.44) | ALDH1A1S1PR1 | |
| SCHEMBL1739204 | 0.87 | S1PR1 (0.44) | ALDH1A1S1PR1 | |
| SCHEMBL1740107 | 0.86 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2S1PR1KDM4ELMNA | |
| SCHEMBL1738142 | 0.85 | S1PR1 (0.42) | ALDH1A1SMN1; SMN2S1PR1TP53 | |
| SCHEMBL1740702 | 0.85 | S1PR1 (0.43) | ALDH1A1S1PR1 | |
| SCHEMBL1739234 | 0.85 | S1PR1 (0.50) | S1PR1 | |
| SCHEMBL1739410 | 0.84 | SMN1; SMN2 (0.42) | KMT2AALDH1A1SMN1; SMN2S1PR1KDM4E | |
| SCHEMBL1738093 | 0.83 | S1PR1 (0.42) | ALDH1A1S1PR1 | |
| SCHEMBL1738095 | 0.82 | S1PR1 (0.49) | S1PR1 | |
| SCHEMBL1739247 | 0.80 | S1PR1 (0.49) | S1PR1LMNAMAPK1 |
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 | 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 |