Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARS1 | P56192 | 2/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.43 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.40 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.40 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.40 |
| ▸ | GRN | P28799 | 1/20 | 0.40 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL23023643 | 0.86 | P2RY14 (0.51) | MARS1P2RY14HCAR2PTGER1MALT1 | |
| SCHEMBL24131122 | 0.81 | RIPK1 (0.49) | P2RY14HCAR2IDH1GRNSORT1 | |
| SCHEMBL3577067 | 0.80 | MARS1 (0.45) | MARS1AURKARPS6KB1P2RY14HCAR2 | |
| SCHEMBL1738076 | 0.78 | MARS1 (0.64) | MARS1MALT1ALDH1A1 | |
| SCHEMBL31130367 | 0.78 | SLC16A3 (0.61) | MARS1P2RY14PTGER1SLC16A3SLC16A1 | |
| SCHEMBL1741116 | 0.75 | CNR1 (0.48) | MARS1AURKARPS6KB1P2RY14PTGER1 | |
| SCHEMBL1739452 | 0.75 | MARS1 (0.41) | MARS1AURKARPS6KB1PTGER1ALDH1A1 | |
| SCHEMBL25309026 | 0.74 | SMN1; SMN2 (0.46) | CYP1A2ALDH1A1POLB | |
| SCHEMBL11435542 | 0.74 | MARS1 (0.40) | MARS1AURKARPS6KB1P2RY14HCAR2 | |
| SCHEMBL11365648 | 0.73 | HCAR2 (0.49) | MARS1HCAR2PTGER1 |
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 |