Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7519008 | 0.80 | NPC1 (0.39) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL7519004 | 0.80 | NPC1 (0.39) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11467602 | 0.80 | ALDH1A1 (0.58) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| SCHEMBL11467604 | 0.80 | ALDH1A1 (0.58) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| SCHEMBL7936118 | 0.79 | NPC1 (0.49) | NPC1RAB9AKMT2AMEN1TAAR1 | |
| SCHEMBL8415809 | 0.79 | NPC1 (0.49) | NPC1RAB9AKMT2AMEN1TAAR1 | |
| SCHEMBL8415811 | 0.79 | NPC1 (0.49) | NPC1RAB9AKMT2AMEN1TAAR1 | |
| SCHEMBL22340453 | 0.77 | CYP1A2 (0.47) | CYP1A2POLBGRIN2DGRIN3BGRIN1 | |
| SCHEMBL15975294 | 0.77 | CYP1A2 (0.45) | CYP1A2POLBGRIN2DGRIN3BGRIN1 | |
| SCHEMBL14069055 | 0.77 | CYP1A2 (0.45) | CYP1A2POLBGRIN2DGRIN3BGRIN1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8796458-B2 | Cyclohexylamine isoquinolone derivatives | SANOFI (FR) | 2014-08-05 | — | — | US | disclosed |
| US-8748614-B2 | Substituted isoquinoline and isoquinolinone derivatives | SANOFI (FR) | 2014-06-10 | — | — | US | disclosed |
| US-8742116-B2 | Cycloalkylamine substituted isoquinolone derivatives | SANOFI (FR) | 2014-06-03 | — | — | US | disclosed |
| US-8710228-B2 | Cycloalkylamine substituted isoquinoline derivatives | SANOFI (FR) | 2014-04-29 | — | — | US | disclosed |
| US-8461144-B2 | Substituted isoquinoline and isoquinolinone derivatives | SANOFI (FR) | 2013-06-11 | — | — | US | disclosed |
| US-20120316152-A1 | SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES | SANOFI (FR) | 2012-12-13 | — | — | US | disclosed |
| US-8278294-B2 | Substituted isoquinoline and isoquinolinone derivatives as inhibitors of Rho-kinase | SANOFI (FR) | 2012-10-02 | — | — | US | disclosed |
| US-8188117-B2 | Piperidinyl-substituted isoquinolone derivatives | SANOFI-AVENTIS (FR) | 2012-05-29 | — | — | US | disclosed |
| US-20110251226-A1 | CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2011-10-13 | — | — | US | disclosed |
| US-20100105650-A1 | Substituted isoquinoline and isoquinolinone derivatives | SANOFI-AVENTIS (FR) | 2010-04-29 | — | — | US | disclosed |
| US-20100081671-A1 | Cycloalkylamine substituted isoquinoline derivatives | SANOFI-AVENTIS (FR) | 2010-04-01 | — | — | US | disclosed |
| US-20100063025-A1 | Substituted isoquinoline and isoquinolinone derivatives as inhibitors of RHO-Kinase | SANOFI-AVENTIS (FR) | 2010-03-11 | — | — | US | disclosed |
| US-20100056568-A1 | Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives | SANOFI-AVENTIS (FR) | 2010-03-04 | — | — | US | disclosed |
| US-20100056518-A1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2010-03-04 | — | — | US | disclosed |
| US-20090093518-A1 | Piperidinyl-substituted isoquinolone derivatives | SANOFI-AVENTIS (FR) | 2009-04-09 | — | — | US | disclosed |
| US-20080242699-A1 | Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one | SANOFI-AVENTIS (FR) | 2008-10-02 | — | — | 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 (9 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-20100063025-A1 | Substituted isoquinoline and isoquinolinone derivatives as inhibitors of RHO-Kinase | ROCK1, MYLK, ROCK2 | CYP1A2 1586/4885POLB 1568/4885GRIN2D 3827/4885 |
| US-20100081671-A1 | Cycloalkylamine substituted isoquinoline derivatives | MYLK2, MYLK, MYLK3 | CYP1A2 3771/4885POLB 665/4885GRIN2D 3116/4885 |
| US-20100056568-A1 | Cycloalkylamine substituted isoquinolone and isoquinolinone derivatives | MYLK2, MYLK, MYLK3 | CYP1A2 2598/4885POLB 666/4885GRIN2D 2580/4885 |
| US-20090093518-A1 | Piperidinyl-substituted isoquinolone derivatives | MYLK2, MYLK, RHOT2 | CYP1A2 2280/4885POLB 698/4885GRIN2D 2928/4885 |
| US-20080242699-A1 | Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one | MYLK, MYLK2, ROCK1 | CYP1A2 2205/4885POLB 2280/4885GRIN2D 3807/4885 |
| US-20120316152-A1 | SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES | MYLK2, RHOT2, MYLK | CYP1A2 3631/4885POLB 744/4885GRIN2D 3055/4885 |
| US-20100105650-A1 | Substituted isoquinoline and isoquinolinone derivatives | MYLK2, MYLK, MYLK3 | CYP1A2 1393/4885POLB 1353/4885GRIN2D 3074/4885 |
| US-20110251226-A1 | CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES | MYLK2, MYLK, MYLK3 | CYP1A2 1903/4885POLB 1118/4885GRIN2D 3497/4885 |
| US-20100056518-A1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES | MYLK, MYLK2, MYLK3 | CYP1A2 3246/4885POLB 618/4885GRIN2D 3316/4885 |
“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.