Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | SCD | O00767 | 4/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL4260848 | 0.86 | CYP3A4 (0.68) | CYP3A4CYP2D6SCD | |
| SCHEMBL4265024 | 0.85 | CYP3A4 (0.70) | CYP3A4CYP2D6SCD | |
| SCHEMBL4258724 | 0.84 | CYP3A4 (0.78) | CYP3A4CYP2D6SCD | |
| SCHEMBL4259271 | 0.84 | CYP3A4 (0.68) | CYP3A4CYP2D6SCD | |
| SCHEMBL3092360 | 0.82 | CYP3A4 (0.68) | CYP3A4CYP2D6SCD | |
| SCHEMBL3080676 | 0.82 | CYP3A4 (0.68) | CYP3A4CYP2D6SCD | |
| SCHEMBL4260854 | 0.82 | CYP3A4 (1.00) | CYP3A4CYP2D6SCD | |
| SCHEMBL3089821 | 0.81 | CYP3A4 (0.67) | CYP3A4CYP2D6SCD | |
| SCHEMBL4257521 | 0.80 | SCD (0.81) | CYP3A4CYP2D6SCD | |
| SCHEMBL3825825 | 0.80 | CYP3A4 (0.66) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007009236-A1 | HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2007-01-25 | — | — | WO | disclosed |