Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 6/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | CYP2J2 | P51589 | 4/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 9/20 | 0.41 |
| ▸ | CHUK | O15111 | 6/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.36 |
| ▸ | NR2F2 | P24468 | 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 | |
|---|---|---|---|---|
| SCHEMBL1705123 | 1.00 | EPHX2 (0.45) | EPHX2CYP2C9CYP2J2BCHEACHE | |
| SCHEMBL1705121 | 1.00 | EPHX2 (0.45) | EPHX2CYP2C9CYP2J2BCHEACHE | |
| SCHEMBL1705289 | 0.89 | IKBKB (0.43) | IKBKBCHUKCYP2C19LCKROCK1 | |
| SCHEMBL1754938 | 0.89 | IKBKB (0.43) | IKBKBCHUKCYP2C19LCKROCK1 | |
| SCHEMBL1705291 | 0.89 | IKBKB (0.43) | IKBKBCHUKCYP2C19LCKROCK1 | |
| SCHEMBL1705241 | 0.88 | IKBKB (0.43) | BCHEACHEBACE1IKBKBCHUK | |
| SCHEMBL1706038 | 0.88 | IKBKB (0.43) | BCHEACHEBACE1IKBKBCHUK | |
| SCHEMBL1705243 | 0.88 | IKBKB (0.43) | BCHEACHEBACE1IKBKBCHUK | |
| SCHEMBL1705209 | 0.85 | IKBKB (0.42) | IKBKBCHUKLCKROCK1 | |
| SCHEMBL1705119 | 0.85 | IKBKB (0.42) | IKBKBCHUKLCKROCK1 |
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 11 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 |
| 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 | EPHX2 3299/4885CYP2C9 4791/4885CYP2J2 3446/4885 |
“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.