Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 3/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 2/20 | 0.38 |
| ▸ | TEK | Q02763 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
| ▸ | CLK3 | P49761 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.38 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.38 |
| ▸ | MYLK | Q15746 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 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 | |
|---|---|---|---|---|
| SCHEMBL3666730 | 0.90 | KDM1A (0.43) | MELKROCK2CREBBPTEK | |
| SCHEMBL3665398 | 0.82 | ROCK2 (0.44) | MELKROCK2CREBBPALDH1A1LMNA | |
| SCHEMBL21955941 | 0.79 | STS (0.45) | — | |
| SCHEMBL4555617 | 0.78 | ALDH1A1 (0.41) | ALDH1A1LMNA | |
| SCHEMBL4555437 | 0.76 | FFAR1 (0.38) | — | |
| SCHEMBL4554533 | 0.76 | DPP4 (0.35) | ALDH1A1 | |
| SCHEMBL23701324 | 0.73 | BACE1 (0.44) | — | |
| SCHEMBL4032578 | 0.73 | ESR1 (0.51) | — | |
| SCHEMBL4554898 | 0.73 | LMNA (0.39) | ALDH1A1LMNA | |
| SCHEMBL3666731 | 0.72 | KDM1A (0.41) | MELKROCK2CREBBP |
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-2144895-A2 | ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) | SmithKline Beecham Corporation (US) | 2010-01-20 | — | — | EP | disclosed |
| WO-2008074824-A2 | ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) | SMITHKLINE BEECHAM CORPORATION (US) | 2008-06-26 | — | — | WO | disclosed |