Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | RPS6KA2 | Q15349 | 3/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | MELK | Q14680 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TEK | Q02763 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3665397 | 0.90 | MELK (0.45) | ROCK2MELKCREBBPTEK | |
| SCHEMBL3666731 | 0.82 | KDM1A (0.41) | KDM1AMAOARPS6KA2RPS6KA3ROCK2 | |
| SCHEMBL3664740 | 0.74 | SMN1; SMN2 (0.54) | RPS6KA2 | |
| SCHEMBL2123215 | 0.74 | HDAC6 (0.41) | NPC1 | |
| SCHEMBL3669806 | 0.73 | ITK (0.51) | RPS6KA2 | |
| SCHEMBL3606540 | 0.73 | ESR2 (0.56) | KDM1AMAOARPS6KA2RPS6KA3ROCK2 | |
| SCHEMBL3665398 | 0.72 | ROCK2 (0.44) | ROCK2MELKCREBBP | |
| SCHEMBL4032578 | 0.72 | ESR1 (0.51) | — | |
| SCHEMBL4422304 | 0.72 | GAA (0.54) | — | |
| SCHEMBL21955941 | 0.71 | STS (0.45) | NPC1RAB9A |
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 |