Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.41 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 3/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7989876 | 0.93 | MAPT (0.47) | ROCK2CYP3A4NPC1POLBRAB9A | |
| SCHEMBL7652814 | 0.86 | NAMPT (0.55) | ROCK2CYP3A4NPC1POLBRAB9A | |
| SCHEMBL6806601 | 0.85 | BRAF (0.42) | ROCK2NPC1POLBRAB9AHTR1D | |
| SCHEMBL7652080 | 0.84 | DDR1 (0.43) | ROCK2CYP3A4NPC1RAB9AHTR1D | |
| Hydrochloric Acid SCHEMBL6295081 | 0.84 | ROCK2 (0.59) | ROCK2CYP3A4NPC1POLBRAB9A | |
| SCHEMBL7656628 | 0.84 | ROCK2 (0.59) | ROCK2CYP3A4NPC1POLBRAB9A | |
| SCHEMBL7652773 | 0.84 | ROCK2 (0.49) | ROCK2CYP3A4NPC1POLBRAB9A | |
| SCHEMBL7658686 | 0.84 | KMT2A (0.53) | ROCK2CYP3A4NPC1POLBRAB9A | |
| Hydrochloric Acid SCHEMBL7657621 | 0.84 | DDR1 (0.42) | ROCK2CYP3A4NPC1RAB9AHTR1D | |
| SCHEMBL7661973 | 0.83 | BRAF (0.46) | ROCK2CYP3A4MAPTTP53THRB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | claimed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | 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 |