Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 3/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.53 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.52 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.39 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | ABL1 | P00519 | 2/20 | 0.37 |
| ▸ | CHUK | O15111 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1705711 | 1.00 | IKBKB (0.53) | IKBKBROCK1ROCK2PRKCZSMYD3 | |
| SCHEMBL1705847 | 0.90 | ROCK1 (0.48) | IKBKBROCK1ROCK2PRKCZSMYD3 | |
| SCHEMBL1705161 | 0.85 | IKBKB (0.56) | IKBKBROCK1ROCK2PRKCZSMYD3 | |
| SCHEMBL1705160 | 0.85 | IKBKB (0.56) | IKBKBROCK1ROCK2PRKCZSMYD3 | |
| SCHEMBL1705686 | 0.85 | IKBKB (0.53) | IKBKBROCK1ROCK2PRKCZSMYD3 | |
| SCHEMBL1705689 | 0.85 | IKBKB (0.53) | IKBKBROCK1ROCK2PRKCZSMYD3 | |
| SCHEMBL1706096 | 0.84 | IKBKB (0.54) | IKBKBROCK1ROCK2PRKCZSMYD3 | |
| SCHEMBL1705057 | 0.84 | IKBKB (0.54) | IKBKBROCK1ROCK2PRKCZSMYD3 | |
| SCHEMBL1705055 | 0.84 | IKBKB (0.54) | IKBKBROCK1ROCK2PRKCZSMYD3 | |
| SCHEMBL1705684 | 0.83 | IKBKB (0.51) | IKBKBROCK1ROCK2PRKCZSMYD3 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8710228-B2 | Cycloalkylamine substituted isoquinoline derivatives | SANOFI (FR) | 2014-04-29 | — | — | US | claimed |
| EP-2125746-B1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES | SANOFI SA (FR) | 2012-04-18 | — | — | EP | claimed |
| US-8710228-B2 | Cycloalkylamine substituted isoquinoline derivatives | SANOFI (FR) | 2014-04-29 | — | — | US | disclosed |
| US-8710228-B2 | Cycloalkylamine substituted isoquinoline derivatives | SANOFI (FR) | 2014-04-29 | — | — | US | disclosed |
| US-8710228-B2 | Cycloalkylamine substituted isoquinoline derivatives | SANOFI (FR) | 2014-04-29 | — | — | US | disclosed |
| EP-2125746-B1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES | SANOFI SA (FR) | 2012-04-18 | — | — | EP | disclosed |
| EP-2125746-B1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES | SANOFI SA (FR) | 2012-04-18 | — | — | EP | disclosed |
| US-20100081671-A1 | Cycloalkylamine substituted isoquinoline derivatives | SANOFI-AVENTIS (FR) | 2010-04-01 | — | — | US | disclosed |
| US-20100081671-A1 | Cycloalkylamine substituted isoquinoline derivatives | SANOFI-AVENTIS (FR) | 2010-04-01 | — | — | US | disclosed |
| US-20100081671-A1 | Cycloalkylamine substituted isoquinoline derivatives | SANOFI-AVENTIS (FR) | 2010-04-01 | — | — | US | disclosed |
| EP-2125746-A1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES | Sanofi-Aventis (FR) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008077554-A1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES | SANOFI-AVENTIS (FR) | 2008-07-03 | — | — | 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-20100081671-A1 | Cycloalkylamine substituted isoquinoline derivatives | MYLK2, MYLK, MYLK3 | IKBKB 1991/4885ROCK1 8/4885ROCK2 6/4885 |
“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.