Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 10/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | VNN1 | O95497 | 4/20 | 0.43 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 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 | |
|---|---|---|---|---|
| SCHEMBL13326499 | 0.83 | GRIN2B (0.57) | GRIN2BCYP2D6CYP2C9CYP3A4JAK3 | |
| SCHEMBL14720234 | 0.79 | GRIN2B (0.64) | GRIN2BCYP2D6CYP2C9CYP3A4VNN1 | |
| SCHEMBL5352161 | 0.76 | GRIN2B (1.00) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL10293554 | 0.75 | CYP2D6 (0.51) | GRIN2BCYP2D6CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL1597359 | 0.73 | CYP2D6 (0.47) | GRIN2BCYP2D6CYP2C9CYP3A4VNN1 | |
| SCHEMBL1597361 | 0.73 | CYP2D6 (0.47) | GRIN2BCYP2D6CYP2C9CYP3A4VNN1 | |
| SCHEMBL4052814 | 0.73 | GRIN2B (0.46) | GRIN2BCYP2D6CYP2C9CYP3A4JAK3 | |
| SCHEMBL15205760 | 0.72 | GRIN2B (0.42) | GRIN2BCYP2D6CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL20474411 | 0.71 | CYP3A4 (0.48) | GRIN2BCYP2D6CYP2C9CYP3A4ALDH1A1 | |
| SCHEMBL1411417 | 0.70 | GRIN2B (0.36) | GRIN2BCYP2D6CYP2C9CYP3A4JAK3 |
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-2013028445-A1 | FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2013-02-28 | — | — | WO | disclosed |