Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 19/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6294868 | 0.83 | ROCK2 (0.55) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL4765111 | 0.83 | HRH3 (0.46) | — | |
| SCHEMBL6294869 | 0.79 | POLB (0.59) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL6295061 | 0.78 | RAB9A (0.69) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL6298411 | 0.78 | TMPRSS2 (0.65) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL6293990 | 0.77 | MELK (0.63) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL6293956 | 0.77 | ROCK2 (0.55) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL6295065 | 0.77 | NPC1 (0.66) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL1248942 | 0.77 | CD40 (0.53) | ROCK2ROCK1 | |
| SCHEMBL6294908 | 0.77 | ROCK2 (0.66) | ROCK2ROCK1CYP3A4 |
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 7 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 |
| 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 |
| US-20010016657-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. | 2001-08-23 | — | — | US | 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 2314/4885ROCK1 3641/4885CYP3A4 168/4885 |
| US-20010016657-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | INA, GRIN2C, GRIN2A | ROCK2 2314/4885ROCK1 3641/4885CYP3A4 168/4885 |
| US-20030144320-A1 | For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders | PNMT, SLC6A2, GABBR1 | ROCK2 4693/4885ROCK1 4847/4885CYP3A4 1577/4885 |
“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.