Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.41 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2572494 | 1.00 | HDAC1 (0.53) | HDAC1HDAC6NR4A1NR4A2NR4A3 | |
| SCHEMBL2576657 | 0.86 | NR4A1 (0.54) | NR4A1NR4A2NR4A3TBXAS1KCNQ3 | |
| SCHEMBL2576659 | 0.86 | NR4A1 (0.54) | NR4A1NR4A2NR4A3TBXAS1KCNQ3 | |
| SCHEMBL111301 | 0.84 | CES2 (0.52) | NR4A1NR4A2NR4A3TBXAS1F2 | |
| Hydrochloric Acid SCHEMBL6786928 | 0.82 | TBXAS1 (0.52) | NR4A1NR4A2NR4A3TBXAS1F2 | |
| SCHEMBL22397208 | 0.81 | NR4A1 (0.50) | NR4A1NR4A2NR4A3TBXAS1KCNQ3 | |
| SCHEMBL22397207 | 0.81 | NR4A1 (0.50) | NR4A1NR4A2NR4A3TBXAS1KCNQ3 | |
| Hydrochloric Acid SCHEMBL3024028 | 0.80 | HDAC1 (0.50) | HDAC1HDAC6NR4A1NR4A2NR4A3 | |
| Hydrochloric Acid SCHEMBL3024030 | 0.80 | HDAC1 (0.50) | HDAC1HDAC6NR4A1NR4A2NR4A3 | |
| SCHEMBL4023529 | 0.79 | NR4A1 (0.59) | NR4A1NR4A2NR4A3TBXAS1KCNQ3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8710077-B2 | Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives | SANOFI (FR) | 2014-04-29 | — | — | US | disclosed |
| EP-2102164-B1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES | SANOFI AVENTIS (FR) | 2010-12-01 | — | — | EP | disclosed |
| US-20100056553-A1 | Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives | SANOFI-AVENTIS (FR) | 2010-03-04 | — | — | US | disclosed |
| EP-2102164-A1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES | Sanofi-Aventis (FR) | 2009-09-23 | — | — | EP | disclosed |
| US-20090093518-A1 | Piperidinyl-substituted isoquinolone derivatives | SANOFI-AVENTIS (FR) | 2009-04-09 | — | — | US | disclosed |
| WO-2008077556-A1 | CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE 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 (2 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-20090093518-A1 | Piperidinyl-substituted isoquinolone derivatives | MYLK2, MYLK, RHOT2 | HDAC1 1000/4885HDAC6 381/4885NR4A1 3842/4885 |
| US-20100056553-A1 | Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives | MYLK2, MYLK, MYLK3 | HDAC1 1281/4885HDAC6 330/4885NR4A1 4389/4885 |
“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.