Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 13/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 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) | S1PR1ALDH1A1S1PR3 | |
| SCHEMBL1739204 | 0.91 | S1PR1 (0.44) | S1PR1ALDH1A1S1PR3 | |
| SCHEMBL1740702 | 0.90 | S1PR1 (0.43) | S1PR1ALDH1A1S1PR3 | |
| SCHEMBL1739234 | 0.90 | S1PR1 (0.50) | S1PR1S1PR3 | |
| SCHEMBL1738093 | 0.88 | S1PR1 (0.42) | S1PR1ALDH1A1S1PR3 | |
| SCHEMBL1740563 | 0.88 | LMNA (0.42) | S1PR1ALDH1A1SMN1; SMN2TSHRTP53 | |
| SCHEMBL1740593 | 0.86 | S1PR1 (0.43) | S1PR1SMN1; SMN2S1PR3TSHR | |
| SCHEMBL1739255 | 0.85 | KMT2A (0.44) | S1PR1ALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL1738095 | 0.85 | S1PR1 (0.49) | S1PR1S1PR3 | |
| SCHEMBL1739291 | 0.84 | S1PR1 (0.39) | 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 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 |