Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 8/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.38 |
| ▸ | MELK | Q14680 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | PLAT | P00750 | 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 | |
|---|---|---|---|---|
| SCHEMBL6600619 | 0.88 | CREBBP (0.46) | HDAC1HDAC8HDAC6ROCK2PRKG1 | |
| SCHEMBL5874012 | 0.87 | HDAC8 (0.40) | TOP2AHDAC1HDAC8HDAC6 | |
| SCHEMBL5874169 | 0.82 | SLC2A1 (0.42) | SLC2A1PTGER1ROCK2PRKG1MELK | |
| SCHEMBL6604270 | 0.80 | KCNQ3 (0.47) | HDAC1HDAC8HDAC6ROCK2PRKG1 | |
| SCHEMBL6602962 | 0.80 | MAPT (0.55) | HDAC1HDAC8HDAC6ROCK2PRKG1 | |
| SCHEMBL6604412 | 0.79 | NPC1 (0.52) | HDAC1HDAC8HDAC6 | |
| SCHEMBL5874026 | 0.78 | MELK (0.41) | HDAC1HDAC8HDAC6SLC2A1ROCK2 | |
| SCHEMBL6602268 | 0.77 | MAPT (0.49) | HDAC1HDAC8HDAC6 | |
| SCHEMBL6601808 | 0.77 | CREBBP (0.47) | HDAC1HDAC8HDAC6ROCK2PRKG1 | |
| SCHEMBL6602306 | 0.77 | MAPT (0.45) | HDAC1HDAC8HDAC6ROCK2PRKG1 |
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 4 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 |