Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CRHBP | P24387 | 2/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3641185 | 0.91 | GRM5 (0.60) | GRM5CYP3A4ALDH1A1MAPTCRHBP | |
| SCHEMBL3641418 | 0.87 | GRM5 (0.61) | GRM5CYP3A4ALDH1A1MAPTCRHBP | |
| SCHEMBL4254700 | 0.78 | GRM5 (0.44) | GRM5CYP3A4CYP1A2 | |
| SCHEMBL3639838 | 0.76 | GRM5 (0.64) | GRM5CYP3A4ALDH1A1MAPTCRHBP | |
| SCHEMBL3641997 | 0.74 | GRM5 (0.55) | GRM5CYP3A4ALDH1A1MAPTLMNA | |
| SCHEMBL3642385 | 0.74 | GRM5 (0.55) | GRM5CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL4251832 | 0.74 | GRM5 (0.36) | GRM5CYP3A4CYP1A2 | |
| SCHEMBL4696957 | 0.73 | ALDH1A1 (0.59) | ALDH1A1MAPTCRHBPCRHR2CYP1A2 | |
| SCHEMBL3641798 | 0.72 | GRM5 (1.00) | GRM5CYP3A4CYP1A2LMNA | |
| SCHEMBL4103009 | 0.71 | MAPT (0.68) | GRM5ALDH1A1MAPTCYP1A2CYP2C9 |
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-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 |