Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3831365 | 1.00 | CYP3A4 (0.38) | CYP3A4CYP2D6GRIN1GRIN2B | |
| SCHEMBL14130910 | 1.00 | CYP3A4 (0.38) | CYP3A4CYP2D6GRIN1GRIN2B | |
| SCHEMBL3831437 | 0.95 | CYP3A4 (0.42) | CYP3A4CYP2D6 | |
| SCHEMBL3854486 | 0.94 | CYP3A4 (0.41) | CYP3A4CYP2D6 | |
| SCHEMBL14130917 | 0.92 | GRIN1 (0.40) | GRIN1GRIN2B | |
| SCHEMBL14130918 | 0.90 | GRM5 (0.40) | — | |
| SCHEMBL5109083 | 0.86 | GRM5 (0.39) | — | |
| SCHEMBL14130745 | 0.86 | GRM5 (0.39) | — | |
| SCHEMBL5107275 | 0.86 | SCD (0.44) | — | |
| SCHEMBL3832527 | 0.84 | SCD (0.42) | — |
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-2099755-A2 | ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS | Glenmark Pharmaceuticals S.A. (CH) | 2009-09-16 | — | — | EP | claimed |
| WO-2008062276-A2 | ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (US) | 2008-05-29 | — | — | WO | claimed |