Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.61 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.61 |
| ▸ | MELK | Q14680 | 4/20 | 0.61 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.55 |
| ▸ | ITGA2 | P17301 | 5/20 | 0.55 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.55 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.54 |
| ▸ | F2 | P00734 | 1/20 | 0.51 |
| ▸ | PLG | P00747 | 1/20 | 0.51 |
| ▸ | PLAU | P00749 | 1/20 | 0.51 |
| ▸ | PLAT | P00750 | 1/20 | 0.51 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL5874078 | 0.87 | ROCK2 (0.47) | ROCK2PRKG1MELKITGB3ITGA2 | |
| SCHEMBL5874032 | 0.84 | ROCK2 (0.45) | ROCK2PRKG1MELKSLC2A1MAPT | |
| SCHEMBL5874146 | 0.84 | ROCK2 (0.45) | ROCK2PRKG1MELKITGB3ITGA2 | |
| SCHEMBL11729866 | 0.83 | ROCK2 (0.77) | ROCK2PRKG1MELKITGB3ITGA2 | |
| SCHEMBL7655328 | 0.82 | MAPT (0.48) | ROCK2PRKG1MAPTKDM4EMEN1 | |
| SCHEMBL6293655 | 0.82 | ROCK2 (0.61) | ROCK2MAPTKDM4EMEN1CYP2D6 | |
| SCHEMBL6605922 | 0.81 | PDE4D (0.43) | ROCK2PRKG1MELKMAPTKDM4E | |
| SCHEMBL6601241 | 0.81 | MAPT (0.44) | ROCK2PRKG1MELKMAPTKDM4E | |
| SCHEMBL3240060 | 0.81 | ALDH1A1 (0.67) | ROCK2PRKG1MELKITGB3ITGA2 | |
| SCHEMBL6602306 | 0.81 | MAPT (0.45) | ROCK2PRKG1MELKMAPTKDM4E |
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 2314/4885PRKG1 3911/4885MELK 2857/4885 |
| US-20010016657-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | INA, GRIN2C, GRIN2A | ROCK2 2314/4885PRKG1 3911/4885MELK 2857/4885 |
| US-20030144320-A1 | For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders | PNMT, SLC6A2, GABBR1 | ROCK2 4693/4885PRKG1 3928/4885MELK 2698/4885 |
“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.