Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.49 |
| ▸ | HAO1 | Q9UJM8 | 3/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | CETP | P11597 | 3/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 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 | |
|---|---|---|---|---|
| SCHEMBL18834037 | 0.88 | GRM5 (0.52) | GRM5FFAR1HAO1ADORA2BCTSS | |
| SCHEMBL3872159 | 0.82 | FFAR1 (0.50) | GRM5FFAR1HAO1BACE1CETP | |
| SCHEMBL81119 | 0.81 | FFAR1 (0.54) | GRM5FFAR1HAO1ADORA2BCHRM2 | |
| SCHEMBL3874608 | 0.80 | FFAR1 (0.67) | GRM5FFAR1HAO1 | |
| SCHEMBL2232937 | 0.79 | FFAR1 (0.56) | GRM5FFAR1CHRM2CHRM1CHRM3 | |
| SCHEMBL16984726 | 0.79 | GRM5 (0.56) | GRM5FFAR1HAO1CTSSCTSK | |
| SCHEMBL5481917 | 0.78 | FFAR1 (0.44) | GRM5FFAR1HAO1ADORA2BCHRM2 | |
| SCHEMBL13597746 | 0.76 | GRM5 (0.53) | GRM5FFAR1HAO1CYP2D6HRH3 | |
| SCHEMBL3937119 | 0.76 | GRM5 (0.47) | GRM5FFAR1ADORA2BCYP2D6HRH3 | |
| SCHEMBL4293314 | 0.75 | GRM5 (0.48) | GRM5FFAR1CHRM2CHRM1CHRM3 |
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-1765760-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006002802-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-12 | — | — | WO | disclosed |