Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5321101 | 0.84 | GRM2 (0.42) | TDP1GRM2ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL5319428 | 0.84 | PPARG (0.43) | GRM2KMT2A | |
| SCHEMBL5318920 | 0.83 | GRM2 (0.58) | GRM2 | |
| SCHEMBL5317788 | 0.83 | GRM2 (0.56) | TDP1GRM2ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL5318445 | 0.83 | GRM2 (0.42) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL5323117 | 0.82 | GRM2 (0.41) | GRM2 | |
| SCHEMBL5320848 | 0.82 | GRM2 (0.43) | GRM2 | |
| SCHEMBL5323847 | 0.81 | GRM2 (0.43) | GRM2 | |
| SCHEMBL5320884 | 0.81 | GRM2 (0.37) | GRM2 | |
| SCHEMBL5319036 | 0.80 | GRM2 (0.40) | GRM2 |
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-1773774-A2 | HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS | Merck & Co., Inc. (US) | 2007-04-18 | — | — | EP | claimed |
| WO-2006014918-A2 | HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | claimed |