Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 7/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.41 |
| ▸ | BRAF | P15056 | 8/20 | 0.40 |
| ▸ | KDR | P35968 | 8/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL1825624 | 0.91 | MRGPRX4 (0.54) | MRGPRX4S1PR1KDRJAK1PPARD | |
| SCHEMBL1827176 | 0.89 | S1PR1 (0.48) | MRGPRX4S1PR1BRAFKDR | |
| SCHEMBL4437922 | 0.88 | MRGPRX4 (0.54) | MRGPRX4JAK1PPARDPPARA | |
| SCHEMBL1825932 | 0.86 | S1PR1 (0.50) | S1PR1BRAFKDR | |
| SCHEMBL1827007 | 0.86 | MRGPRX4 (0.53) | MRGPRX4S1PR1BRAFKDR | |
| SCHEMBL1825725 | 0.86 | KDM4E (0.47) | MRGPRX4BRAFKDRJAK1 | |
| SCHEMBL4441862 | 0.83 | MRGPRX4 (0.39) | MRGPRX4BRAFKDR | |
| SCHEMBL1826416 | 0.82 | MRGPRX4 (0.50) | MRGPRX4S1PR1BRAFKDR | |
| SCHEMBL1827185 | 0.82 | KDM4E (0.50) | MRGPRX4S1PR1BRAFKDR | |
| SCHEMBL4437925 | 0.82 | MRGPRX4 (0.48) | MRGPRX4BRAFKDRJAK1PPARD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2118051-A1 | NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF | Chelsea Therapeutics, Inc. (US) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008097180-A1 | NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF | CHELSEA THERAPEUTICS, INC. (US) | 2008-08-14 | — | — | WO | disclosed |