Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 9/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.45 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3639663 | 1.00 | GRM5 (0.53) | GRM5CYP1A2CYP3A4CACNA1CSCN5A | |
| SCHEMBL513283 | 0.92 | GRM5 (0.61) | GRM5CYP1A2CYP3A4ADORA1ESR2 | |
| SCHEMBL16493969 | 0.81 | ESR2 (0.46) | GRM5CYP1A2CYP3A4CACNA1CSCN5A | |
| SCHEMBL14954612 | 0.81 | ESR2 (0.46) | GRM5CYP1A2CYP3A4CACNA1CSCN5A | |
| SCHEMBL2558056 | 0.81 | ESR2 (0.46) | GRM5CYP1A2CYP3A4CACNA1CSCN5A | |
| SCHEMBL30803371 | 0.81 | ESR2 (0.46) | GRM5CYP1A2CYP3A4CACNA1CSCN5A | |
| SCHEMBL16493968 | 0.81 | ESR2 (0.46) | GRM5CYP1A2CYP3A4CACNA1CSCN5A | |
| SCHEMBL4258282 | 0.80 | GRM5 (0.42) | GRM5CYP1A2CYP3A4CACNA1CSCN5A | |
| SCHEMBL29915493 | 0.79 | GRM5 (0.41) | GRM5ADORA1ESR2NR1H2USP2 | |
| SCHEMBL29915439 | 0.78 | GRM5 (0.48) | GRM5NR1H2USP2SMN1; SMN2 |
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-2178858-B1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD (IE) | 2011-12-28 | — | — | EP | disclosed |
| EP-2178858-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | Recordati Ireland Limited (IE) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009015897-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2009-02-05 | — | — | WO | disclosed |