Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 9/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.40 |
| ▸ | TP53 | P04637 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1741170 | 0.90 | S1PR1 (0.67) | S1PR1ALDH1A1KDM4ERAB9AMAPT | |
| SCHEMBL1740570 | 0.87 | S1PR1 (0.49) | S1PR1ALDH1A1KDM4ERAB9AMAPT | |
| SCHEMBL1740690 | 0.86 | S1PR1 (0.55) | S1PR1ALDH1A1RAB9AMAPTNPC1 | |
| SCHEMBL2596925 | 0.84 | S1PR1 (0.46) | S1PR1ALDH1A1MAPTNPC1HPGD | |
| SCHEMBL1739324 | 0.80 | S1PR1 (0.42) | S1PR1HPGD | |
| SCHEMBL1738087 | 0.80 | S1PR1 (0.52) | S1PR1ALDH1A1KDM4ERAB9AMAPT | |
| SCHEMBL1740585 | 0.76 | S1PR1 (0.48) | S1PR1ALDH1A1KDM4ERAB9AMAPT | |
| SCHEMBL1738961 | 0.76 | S1PR1 (0.69) | S1PR1MAPTNPC1SMN1; SMN2HSD17B10 | |
| SCHEMBL2674115 | 0.73 | APOBEC3A (0.47) | ALDH1A1KDM4ERAB9AMAPTNPC1 | |
| SCHEMBL1740576 | 0.73 | S1PR1 (0.48) | 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 |