Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 10/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | RAF1 | P04049 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6602301 | 0.91 | HDAC8 (0.48) | HDAC8BRAFROCK2CYP3A4PDE4D | |
| SCHEMBL6601028 | 0.90 | HDAC8 (0.45) | HDAC8BRAFROCK2CYP3A4PDE4D | |
| SCHEMBL8135861 | 0.88 | ABCG2 (0.39) | HDAC8BRAFROCK2CYP3A4MAPT | |
| SCHEMBL6602477 | 0.88 | HDAC8 (0.44) | HDAC8BRAFROCK2CYP3A4PDE4D | |
| SCHEMBL6604922 | 0.88 | ESR1 (0.48) | HDAC8BRAFPDE4DRAF1TP53 | |
| SCHEMBL6603082 | 0.84 | HDAC8 (0.43) | HDAC8BRAFROCK2CYP3A4PDE4D | |
| SCHEMBL6603079 | 0.84 | HDAC8 (0.43) | HDAC8BRAFROCK2CYP3A4PDE4D | |
| SCHEMBL7653451 | 0.83 | MAPT (0.41) | HDAC8BRAFROCK2CYP3A4PDE4D | |
| Hydrochloric Acid SCHEMBL6608356 | 0.83 | HDAC8 (0.44) | HDAC8BRAFROCK2CYP3A4PDE4D | |
| Hydrochloric Acid SCHEMBL6608362 | 0.83 | HDAC8 (0.44) | HDAC8BRAFROCK2CYP3A4PDE4D |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1042296-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-25 | — | — | EP | claimed |
| US-6248754-B1 | PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-06-19 | — | — | US | claimed |
| EP-1042296-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-25 | — | — | EP | disclosed |
| US-6248754-B1 | PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-06-19 | — | — | US | disclosed |
| EP-1042296-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999031068-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-06-24 | — | — | WO | disclosed |