Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SCD | O00767 | 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 | |
|---|---|---|---|---|
| SCHEMBL14130868 | 1.00 | CYP3A4 (0.42) | CYP3A4CYP2D6SCD | |
| SCHEMBL5107571 | 1.00 | CYP3A4 (0.42) | CYP3A4CYP2D6SCD | |
| SCHEMBL14130994 | 0.93 | CYP3A4 (0.48) | CYP3A4CYP2D6 | |
| SCHEMBL14130731 | 0.82 | CYP3A4 (0.42) | CYP3A4CYP2D6SCD | |
| SCHEMBL3830322 | 0.82 | CYP3A4 (0.42) | CYP3A4CYP2D6SCD | |
| SCHEMBL3828538 | 0.82 | CYP3A4 (0.42) | CYP3A4CYP2D6SCD | |
| SCHEMBL14130910 | 0.82 | CYP3A4 (0.38) | CYP3A4CYP2D6 | |
| SCHEMBL3832784 | 0.82 | CYP3A4 (0.38) | CYP3A4CYP2D6 | |
| SCHEMBL3831365 | 0.82 | CYP3A4 (0.38) | CYP3A4CYP2D6 | |
| SCHEMBL27784539 | 0.81 | CYP3A4 (0.45) | CYP3A4CYP2D6 |
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 | disclosed |
| WO-2008062276-A2 | ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (US) | 2008-05-29 | — | — | WO | disclosed |