Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.46 |
| ▸ | ESRRB | O95718 | 1/20 | 0.46 |
| ▸ | ESRRA | P11474 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL4812125 | 0.80 | ALDH1A1 (0.48) | CYP17A1CYP3A4CYP11B1CYP11B2MTNR1A | |
| SCHEMBL3052255 | 0.80 | EGFR (0.42) | PDE10AIKBKBJAK2ROCK2JAK1 | |
| SCHEMBL20429324 | 0.80 | PDE10A (0.43) | PDE10AIKBKBJAK2ROCK2JAK1 | |
| SCHEMBL1705752 | 0.76 | PDE10A (0.55) | CYP17A1CYP3A4CYP11B1CYP11B2PDE10A | |
| SCHEMBL28986981 | 0.75 | CYP11B1 (0.49) | ESR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL2500489 | 0.74 | CYP17A1 (0.38) | ESR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL4730778 | 0.74 | KDM4E (0.46) | CYP3A4IKBKBJAK2ROCK2JAK1 | |
| SCHEMBL3960876 | 0.74 | MTNR1A (0.60) | ESR1ESR2ESRRBESRRAMTNR1A | |
| SCHEMBL873335 | 0.73 | CYP11B1 (0.47) | CYP17A1CYP3A4CYP11B1CYP11B2PDE10A | |
| SCHEMBL19383227 | 0.73 | PDE10A (0.48) | CYP11B1CYP11B2PDE10A |
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 | 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 |
| 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 | ESR1 4825/4885ESR2 3731/4885ESRRB 2830/4885 |
“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.