Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 17/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.52 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6293918 | 0.89 | L3MBTL3 (0.52) | ROCK2CYP3A4L3MBTL3 | |
| SCHEMBL6294922 | 0.86 | L3MBTL3 (0.47) | ROCK2CYP3A4ROCK1L3MBTL3 | |
| SCHEMBL6298395 | 0.86 | HTR1D (0.56) | ROCK2CYP3A4ROCK1SMN1; SMN2 | |
| SCHEMBL6293914 | 0.85 | MAPT (0.68) | ROCK2CYP3A4ROCK1MAPTALOX15 | |
| SCHEMBL6299622 | 0.84 | ROCK2 (0.43) | ROCK2CYP3A4ROCK1MAPTALOX15 | |
| SCHEMBL7958537 | 0.84 | MAPT (0.45) | ROCK2CYP3A4ROCK1L3MBTL3MAPT | |
| SCHEMBL6293968 | 0.84 | ROCK2 (0.51) | ROCK2CYP3A4ROCK1MAPT | |
| Hydrochloric Acid SCHEMBL6298340 | 0.84 | ROCK2 (0.56) | ROCK2CYP3A4ROCK1 | |
| SCHEMBL6293990 | 0.83 | MELK (0.63) | ROCK2CYP3A4ROCK1L3MBTL3MAPT | |
| SCHEMBL6293953 | 0.83 | ROCK2 (0.55) | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6841560-B2 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-01-11 | — | — | US | claimed |
| US-20030144320-A1 | For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders | SMITHKLINE BEECHAM P.L.C. | 2003-07-31 | — | — | US | claimed |
| US-20010016657-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. | 2001-08-23 | — | — | US | claimed |
| EP-0968190-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-01-05 | — | — | EP | claimed |
| WO-1998041508-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1998-09-24 | — | — | WO | claimed |
| US-6841560-B2 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-01-11 | — | — | US | disclosed |
| US-20040209912-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. | 2004-10-21 | — | — | US | disclosed |
| US-20030144320-A1 | For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders | SMITHKLINE BEECHAM P.L.C. | 2003-07-31 | — | — | US | disclosed |
| EP-0968190-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998041508-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1998-09-24 | — | — | 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 (3 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-20040209912-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | INA, GRIN2C, GRIN2A | ROCK2 2314/4885CYP3A4 168/4885ROCK1 3641/4885 |
| US-20010016657-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | INA, GRIN2C, GRIN2A | ROCK2 2314/4885CYP3A4 168/4885ROCK1 3641/4885 |
| US-20030144320-A1 | For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders | PNMT, SLC6A2, GABBR1 | ROCK2 4693/4885CYP3A4 1577/4885ROCK1 4847/4885 |
“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.