Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.60 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.60 |
| ▸ | PDE2A | O00408 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | TYK2 | P29597 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3317291 | 0.89 | ROCK1 (0.51) | ROCK1ROCK2KCNH2HRH3DRD2 | |
| SCHEMBL3313896 | 0.88 | ROCK1 (0.59) | ROCK1ROCK2KCNH2JAK2JAK1 | |
| SCHEMBL3312181 | 0.84 | ROCK1 (0.41) | ROCK1ROCK2KCNH2ALDH1A1DRD2 | |
| SCHEMBL3312549 | 0.81 | ROCK1 (0.40) | ROCK1ROCK2KCNH2JAK1DRD2 | |
| SCHEMBL3313673 | 0.81 | ADORA2A (0.41) | ROCK1ROCK2KCNH2PDE2A | |
| SCHEMBL4005591 | 0.75 | ROCK1 (1.00) | ROCK1ROCK2KCNH2 | |
| SCHEMBL4006258 | 0.75 | ROCK1 (1.00) | ROCK1ROCK2KCNH2 | |
| SCHEMBL4005586 | 0.75 | ROCK1 (1.00) | ROCK1ROCK2KCNH2 | |
| SCHEMBL3317150 | 0.74 | ROCK1 (0.35) | ROCK1ROCK2KCNH2JAK2JAK1 | |
| SCHEMBL3312168 | 0.74 | KLKB1 (0.38) | ROCK1ROCK2KCNH2JAK1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8748614-B2 | Substituted isoquinoline and isoquinolinone derivatives | SANOFI (FR) | 2014-06-10 | — | — | US | disclosed |
| US-20100105650-A1 | Substituted isoquinoline and isoquinolinone derivatives | SANOFI-AVENTIS (FR) | 2010-04-29 | — | — | 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 (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-20100105650-A1 | Substituted isoquinoline and isoquinolinone derivatives | MYLK2, MYLK, MYLK3 | ROCK1 5/4885ROCK2 6/4885KCNH2 2028/4885 |
“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.