Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 16/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3639672 | 0.91 | GRM5 (0.54) | GRM5HRH4CYP3A4CYP1A2 | |
| SCHEMBL3637006 | 0.90 | GRM5 (0.48) | GRM5HRH4CYP3A4CYP1A2 | |
| SCHEMBL3636727 | 0.87 | GRM5 (0.53) | GRM5HRH4CYP3A4CYP1A2 | |
| SCHEMBL3645605 | 0.83 | GRM5 (0.49) | GRM5HRH4CYP3A4CYP1A2 | |
| SCHEMBL3638411 | 0.83 | GRM5 (0.54) | GRM5HRH4CYP3A4CYP1A2 | |
| SCHEMBL3643031 | 0.83 | GRM5 (0.50) | GRM5HRH4CYP3A4 | |
| SCHEMBL3645713 | 0.83 | GRM5 (0.64) | GRM5CYP3A4 | |
| SCHEMBL3635923 | 0.82 | GRM5 (0.48) | GRM5HRH4CYP3A4CYP1A2 | |
| SCHEMBL4253106 | 0.82 | HRH4 (0.39) | GRM5HRH4CYP11B1CYP11B2 | |
| SCHEMBL3642362 | 0.78 | GRM5 (0.73) | GRM5HRH4CYP3A4CYP1A2 |
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-2178858-B1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD (IE) | 2011-12-28 | — | — | EP | claimed |
| EP-2178858-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | Recordati Ireland Limited (IE) | 2010-04-28 | — | — | EP | claimed |
| WO-2009015897-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2009-02-05 | — | — | WO | claimed |
| EP-2178858-B1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD (IE) | 2011-12-28 | — | — | EP | disclosed |