Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 10/20 | 0.38 |
| ▸ | PRCP | P42785 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 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 | |
|---|---|---|---|---|
| SCHEMBL1740719 | 0.92 | S1PR1 (0.44) | S1PR1PRCPS1PR3 | |
| SCHEMBL1740182 | 0.86 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2KDM4ES1PR1POLB | |
| SCHEMBL1739399 | 0.86 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2KDM4ES1PR1POLB | |
| SCHEMBL1740694 | 0.79 | S1PR1 (0.48) | S1PR1S1PR3 | |
| SCHEMBL12181266 | 0.78 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2S1PR1S1PR3 | |
| SCHEMBL1738176 | 0.78 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2KDM4ES1PR1S1PR3 | |
| SCHEMBL1738130 | 0.78 | S1PR1 (0.44) | S1PR1S1PR3 | |
| SCHEMBL1739225 | 0.76 | PRCP (0.41) | S1PR1PRCPS1PR3 | |
| SCHEMBL1739720 | 0.73 | S1PR1 (0.48) | S1PR1S1PR3 | |
| SCHEMBL1741299 | 0.72 | S1PR1 (0.50) | 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 | 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 |