Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 18/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6298340 | 0.94 | ROCK2 (0.56) | ROCK2CYP3A4ROCK1 | |
| SCHEMBL7802430 | 0.86 | ROCK2 (0.58) | ROCK2CYP3A4NPC1ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL6295068 | 0.84 | ROCK2 (0.55) | ROCK2CYP3A4ROCK1 | |
| SCHEMBL7654987 | 0.82 | ROCK2 (0.43) | ROCK2CYP3A4 | |
| SCHEMBL6299445 | 0.82 | ROCK2 (0.56) | ROCK2CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL6294963 | 0.81 | ROCK2 (0.64) | ROCK2CYP3A4NPC1ALDH1A1RAB9A | |
| SCHEMBL6299426 | 0.80 | ROCK2 (0.54) | ROCK2CYP3A4 | |
| SCHEMBL6299508 | 0.80 | ROCK2 (0.53) | ROCK2CYP3A4ROCK1MAPTSMN1; SMN2 | |
| SCHEMBL6295077 | 0.80 | ROCK2 (0.58) | ROCK2CYP3A4ROCK1 | |
| Hydrochloric Acid SCHEMBL6299497 | 0.79 | ROCK2 (0.57) | ROCK2CYP3A4ROCK1 |
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 | ROCK2 2314/4885CYP3A4 168/4885ROCK1 3641/4885 |
“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.