Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | SCD | O00767 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14130994 | 0.85 | CYP3A4 (0.48) | CYP3A4CYP2D6 | |
| SCHEMBL3830173 | 0.84 | CYP3A4 (0.47) | CYP3A4CYP2D6SCD | |
| SCHEMBL3831437 | 0.82 | CYP3A4 (0.42) | CYP3A4CYP2D6SCD | |
| SCHEMBL3854486 | 0.81 | CYP3A4 (0.41) | CYP3A4CYP2D6SCD | |
| SCHEMBL3832527 | 0.79 | SCD (0.42) | SCD | |
| SCHEMBL3831490 | 0.79 | RET (0.40) | CYP3A4CYP2D6 | |
| SCHEMBL3826408 | 0.79 | CYP3A4 (0.48) | CYP3A4CYP2D6SCD | |
| SCHEMBL3832071 | 0.79 | CYP3A4 (0.42) | CYP3A4CYP2D6SCD | |
| SCHEMBL5107571 | 0.79 | CYP3A4 (0.42) | CYP3A4CYP2D6SCD | |
| SCHEMBL14130868 | 0.79 | CYP3A4 (0.42) | CYP3A4CYP2D6SCD |
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 |
|---|---|---|---|---|---|---|---|
| CN-101583600-A | Acetylene derivatives as stearoyl-CoA desaturase inhibitors | GLENMARK PHARMACEUTICALS SA (CH) | 2009-11-18 | — | — | CN | claimed |
| CN-101583600-A | Acetylene derivatives as stearoyl-CoA desaturase inhibitors | GLENMARK PHARMACEUTICALS SA (CH) | 2009-11-18 | — | — | CN | disclosed |