Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 2/20 | 0.55 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.55 |
| ▸ | ITGA2 | P17301 | 5/20 | 0.55 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.52 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.49 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.49 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.49 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | BTK | Q06187 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | PLG | P00747 | 1/20 | 0.46 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | PLAT | P00750 | 1/20 | 0.46 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4566270 | 0.76 | MELK (0.76) | MELKITGB3ITGA2SLC2A1ITGA2B | |
| SCHEMBL29431209 | 0.76 | MELK (0.76) | MELKITGB3ITGA2SLC2A1ITGA2B | |
| SCHEMBL7792064 | 0.76 | ITGB3 (0.66) | MELKITGB3ITGA2SLC2A1ITGA2B | |
| SCHEMBL24892142 | 0.75 | MELK (0.87) | MELKITGB3ITGA2SLC2A1ITGA2B | |
| Trifluoroacetic Acid SCHEMBL30182594 | 0.74 | MELK (0.77) | MELKITGB3ITGA2SLC2A1ITGA2B | |
| SCHEMBL8189145 | 0.73 | MELK (0.46) | MELKITGB3ITGA2SLC2A1ITGA2B | |
| SCHEMBL8197860 | 0.72 | MELK (0.68) | MELKITGB3ITGA2SLC2A1ITGA2B | |
| SCHEMBL16168679 | 0.71 | ROCK2 (0.68) | MELKITGB3ITGA2SLC2A1ITGA2B | |
| SCHEMBL16168735 | 0.71 | ROCK2 (0.72) | ITGB3ITGA2ROCK2PKN2PRKG1 | |
| SCHEMBL7801352 | 0.71 | MELK (0.52) | MELKITGB3ITGA2SLC2A1ITGA2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010025045-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. | 2001-09-27 | — | — | US | disclosed |
| EP-1025087-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-08-09 | — | — | EP | disclosed |
| WO-1999021836-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-05-06 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20010025045-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | INA, GRIN2C, GRIN2A | MELK 2857/4885ITGB3 4504/4885ITGA2 4491/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.