Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.52 |
| ▸ | TNKS | O95271 | 1/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.52 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8173551 | 1.00 | PKM (0.60) | PKMHDAC3HDAC1NPSR1HDAC8 | |
| SCHEMBL63737 | 0.84 | HDAC3 (0.54) | HDAC3HDAC1HDAC8HDAC6HDAC4 | |
| SCHEMBL11974531 | 0.84 | HDAC3 (0.80) | HDAC3HDAC1HDAC8HDAC6HDAC4 | |
| SCHEMBL63736 | 0.84 | HDAC3 (0.54) | HDAC3HDAC1HDAC8HDAC6HDAC4 | |
| SCHEMBL7496023 | 0.81 | PKM (0.60) | PKMHDAC3HDAC1NPSR1HDAC8 | |
| SCHEMBL7496018 | 0.81 | PKM (0.60) | PKMHDAC3HDAC1NPSR1HDAC8 | |
| SCHEMBL69236 | 0.81 | P4HB (0.66) | PKMHDAC3HDAC1NPSR1HDAC8 | |
| SCHEMBL69237 | 0.81 | P4HB (0.66) | PKMHDAC3HDAC1NPSR1HDAC8 | |
| SCHEMBL2133283 | 0.81 | P4HB (0.68) | PKMHDAC3HDAC1NPSR1HDAC8 | |
| SCHEMBL2133292 | 0.81 | P4HB (0.68) | PKMHDAC3HDAC1NPSR1HDAC8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |