Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | EP300 | Q09472 | 2/20 | 0.36 |
| ▸ | TOP2A | P11388 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7657674 | 0.88 | MAPT (0.49) | HDAC8HDAC1HDAC6MAPTHSD17B10 | |
| SCHEMBL7653027 | 0.88 | MAPT (0.41) | HDAC8HDAC1HDAC6MAPTHSD17B10 | |
| SCHEMBL7653419 | 0.86 | LMNA (0.35) | HDAC8HDAC1HDAC6MAPTHSD17B10 | |
| SCHEMBL7659468 | 0.81 | MAPT (0.52) | HDAC8MAPTHSD17B10SMN1; SMN2ALOX15 | |
| SCHEMBL7649761 | 0.81 | MAPT (0.46) | MAPTHSD17B10SMN1; SMN2ALOX15ALOX12 | |
| SCHEMBL7655281 | 0.81 | POLB (0.50) | HDAC8HDAC1HDAC6MAPTSMN1; SMN2 | |
| SCHEMBL7658606 | 0.80 | RORC (0.41) | HDAC8POLB | |
| SCHEMBL7661169 | 0.80 | POLB (0.35) | CYP3A4CYP2C19CYP1A2MEN1KMT2A | |
| SCHEMBL7650280 | 0.79 | MAPT (0.45) | HDAC8HDAC1HDAC6MAPTSMN1; SMN2 | |
| SCHEMBL7651449 | 0.78 | MAPT (0.46) | HDAC8MAPTHSD17B10SMN1; SMN2ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | claimed |
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | disclosed |