Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1738358 | 0.92 | S1PR1 (0.41) | S1PR1 | |
| SCHEMBL1739255 | 0.86 | KMT2A (0.44) | ALDH1A1SMN1; SMN2S1PR1KDM4ENPC1 | |
| SCHEMBL1739234 | 0.86 | S1PR1 (0.50) | S1PR1 | |
| SCHEMBL1739247 | 0.83 | S1PR1 (0.49) | S1PR1LMNA | |
| SCHEMBL1738095 | 0.83 | S1PR1 (0.49) | S1PR1 | |
| SCHEMBL1739410 | 0.81 | SMN1; SMN2 (0.42) | ALDH1A1SMN1; SMN2S1PR1KDM4ENPC1 | |
| SCHEMBL1740689 | 0.81 | S1PR1 (0.42) | ALDH1A1S1PR1 | |
| SCHEMBL1739327 | 0.79 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2S1PR1KDM4ENPC1 | |
| SCHEMBL1740563 | 0.79 | LMNA (0.42) | ALDH1A1SMN1; SMN2S1PR1NPC1MAPT | |
| SCHEMBL1741621 | 0.79 | S1PR1 (0.53) | S1PR1 |
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 3 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 |