Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 7/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.33 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12154041 | 0.89 | S1PR1 (0.48) | S1PR1S1PR3S1PR5MAPK1TP53 | |
| SCHEMBL1739251 | 0.86 | S1PR1 (0.44) | S1PR1S1PR3S1PR5NPSR1MAPT | |
| SCHEMBL2596960 | 0.85 | S1PR1 (0.46) | S1PR1S1PR3NPSR1MAPTNPC1 | |
| SCHEMBL1739241 | 0.81 | S1PR1 (0.45) | S1PR1NPSR1MAPTNPC1RAB9A | |
| SCHEMBL1741030 | 0.80 | S1PR1 (0.40) | S1PR1S1PR3NPSR1MAPTNPC1 | |
| SCHEMBL1740573 | 0.79 | S1PR1 (0.43) | S1PR1NPSR1MAPTNPC1RAB9A | |
| SCHEMBL1739331 | 0.78 | S1PR1 (0.42) | S1PR1NPSR1MAPTNPC1RAB9A | |
| SCHEMBL1741085 | 0.78 | S1PR1 (0.41) | S1PR1S1PR3MAPTSTIM1ORAI1 | |
| SCHEMBL1739164 | 0.77 | S1PR1 (0.41) | S1PR1S1PR3NPSR1MAPTNPC1 | |
| SCHEMBL1738062 | 0.76 | S1PR1 (0.39) | S1PR1S1PR3NPSR1MAPTNPC1 |
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 5 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 |