Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.44 |
| ▸ | MELK | Q14680 | 1/20 | 0.43 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
| ▸ | CLK3 | P49761 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3666731 | 0.91 | KDM1A (0.41) | ROCK2MELKMTNR1BCREBBPMTNR1A | |
| SCHEMBL3665397 | 0.82 | MELK (0.45) | ROCK2MELKACKR3CREBBPCLK2 | |
| SCHEMBL4555618 | 0.80 | MTNR1B (0.42) | MTNR1BALDH1A1LMNAMTNR1A | |
| SCHEMBL4555438 | 0.78 | MTNR1B (0.38) | MTNR1BMTNR1A | |
| SCHEMBL4554534 | 0.77 | MTNR1B (0.40) | MTNR1BMTNR1A | |
| SCHEMBL4032581 | 0.75 | MTNR1B (0.48) | MTNR1BMTNR1A | |
| SCHEMBL4554899 | 0.74 | MTNR1B (0.38) | MTNR1BALDH1A1LMNAMTNR1A | |
| SCHEMBL3664253 | 0.74 | MTNR1B (0.47) | MTNR1BMTNR1A | |
| SCHEMBL2123940 | 0.74 | MTNR1B (0.47) | MTNR1BLMNAMTNR1A | |
| SCHEMBL2123219 | 0.73 | MTNR1B (0.43) | MTNR1BMTNR1A |
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 |