Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 8/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 10/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | STS | P08842 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3643599 | 0.89 | GRM5 (0.59) | GRM5CYP1A2GPR119CYP3A4CACNA1C | |
| SCHEMBL3642247 | 0.86 | GRM5 (0.56) | GRM5CYP1A2GPR119CYP3A4CACNA1C | |
| SCHEMBL4258258 | 0.85 | GRM5 (0.43) | GRM5CYP1A2CYP3A4CACNA1CSCN5A | |
| SCHEMBL3640724 | 0.84 | GRM5 (0.55) | GRM5CYP1A2GPR119CYP3A4CACNA1C | |
| SCHEMBL3642385 | 0.84 | GRM5 (0.55) | GRM5CYP1A2GPR119CYP3A4CACNA1C | |
| SCHEMBL4257279 | 0.79 | GRM5 (0.39) | GRM5GPR119 | |
| SCHEMBL3645309 | 0.79 | GRM5 (0.60) | GRM5CYP1A2GPR119CYP3A4CACNA1C | |
| SCHEMBL3639566 | 0.74 | GRM5 (1.00) | GRM5CYP1A2CYP3A4CACNA1CSCN5A | |
| SCHEMBL20140593 | 0.73 | HTR1A (0.54) | GRM5GPR119 | |
| SCHEMBL4259033 | 0.73 | GRM5 (0.41) | GRM5CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101821256-A | Novel heterocyclic compounds as mGlu5 antagonists | RECORDATI IRELAND LTD | 2010-09-01 | — | — | CN | 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 |
| CN-101821256-A | Novel heterocyclic compounds as mGlu5 antagonists | RECORDATI IRELAND LTD | 2010-09-01 | — | — | CN | disclosed |