Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.42 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | MELK | Q14680 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6601241 | 0.88 | MAPT (0.44) | PDE4DROCK2PRKG1CYP2C19MAPT | |
| SCHEMBL6605922 | 0.88 | PDE4D (0.43) | PDE4DROCK2PRKG1CYP2C19MAPT | |
| SCHEMBL6602306 | 0.87 | MAPT (0.45) | PDE4DROCK2PRKG1CYP2C19MAPT | |
| SCHEMBL7655350 | 0.84 | PDE4D (0.42) | PDE4DROCK2CYP2C19MAPTMEN1 | |
| SCHEMBL6602477 | 0.83 | HDAC8 (0.44) | PDE4DROCK2CYP2C19MAPTMEN1 | |
| SCHEMBL6601445 | 0.81 | PDE4D (0.42) | PDE4DROCK2PRKG1CYP2C19MAPT | |
| SCHEMBL6602300 | 0.81 | PDE4D (0.42) | PDE4DROCK2PRKG1CYP2C19MAPT | |
| SCHEMBL6601638 | 0.81 | ESR1 (0.46) | PDE4DROCK2CYP2C19MAPTMEN1 | |
| SCHEMBL6298345 | 0.79 | ROCK2 (0.61) | ROCK2PRKG1CYP2C19MAPTMEN1 | |
| SCHEMBL8135404 | 0.79 | ESR1 (0.42) | PDE4DROCK2PRKG1CYP2C19MAPT |
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 8 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-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-10-11 | — | — | EP | claimed |
| WO-1999031068-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-06-24 | — | — | WO | 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 |