Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.49 |
| ▸ | MARS1 | P56192 | 2/20 | 0.48 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RBP4 | P02753 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RPA1 | P27694 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1739325 | 0.83 | MARS1 (0.51) | MARS1P2RY14AURKARPS6KB1ALDH1A1 | |
| SCHEMBL15869823 | 0.83 | KMO (0.52) | KMOP2RY14ALDH1A1HPGDSCN9A | |
| SCHEMBL1739256 | 0.82 | MARS1 (0.53) | MARS1P2RY14AURKARPS6KB1ALDH1A1 | |
| SCHEMBL1739614 | 0.80 | MARS1 (0.60) | MARS1P2RY14AURKARPS6KB1KMT2A | |
| SCHEMBL1739835 | 0.78 | MARS1 (0.49) | MARS1AURKARPS6KB1ALDH1A1HPGD | |
| SCHEMBL1738076 | 0.78 | MARS1 (0.64) | MARS1ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL28244390 | 0.76 | SMPD1 (0.51) | SCN9ASCN10A | |
| SCHEMBL18939614 | 0.74 | APLNR (0.58) | APLNR | |
| SCHEMBL29771921 | 0.74 | APLNR (0.58) | APLNR | |
| SCHEMBL10203515 | 0.73 | CNR1 (0.46) | MARS1P2RY14AURKARPS6KB1ALDH1A1 |
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 |