Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 12/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1536543 | 0.82 | HCRTR2 (0.51) | CYP1A2POLBCYP3A4CYP2C19HDAC8 | |
| SCHEMBL7807350 | 0.82 | HCRTR2 (0.51) | CYP1A2POLBCYP3A4CYP2C19HDAC8 | |
| SCHEMBL8183702 | 0.81 | IMPDH2 (0.39) | CYP1A2POLBCYP3A4CYP2C19ROCK2 | |
| SCHEMBL1411900 | 0.81 | IMPDH2 (0.39) | CYP1A2POLBCYP3A4CYP2C19ROCK2 | |
| SCHEMBL1411908 | 0.81 | IMPDH2 (0.39) | CYP1A2POLBCYP3A4CYP2C19ROCK2 | |
| SCHEMBL23360685 | 0.80 | DYRK1A (0.53) | ROCK2ROCK1DYRK1ACDK2 | |
| SCHEMBL29863072 | 0.80 | DYRK1A (0.53) | ROCK2ROCK1DYRK1ACDK2 | |
| SCHEMBL24645264 | 0.78 | MMP2 (0.41) | CYP1A2POLBCYP3A4CYP2C19AGTR2 | |
| SCHEMBL13623178 | 0.77 | HTRA1 (0.44) | CYP1A2POLBCYP3A4CYP2C19AGTR2 | |
| SCHEMBL12267629 | 0.77 | HTRA1 (0.44) | CYP1A2POLBCYP3A4CYP2C19AGTR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2132194-A2 | SUBSTITUTED ISOQUINOLINES AND THEIR USE AS RHO-KINASE INHIBITORS | Sanofi-Aventis (FR) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008077555-A2 | SUBSTITUTED ISOQUINOLINES AND THEIR USE AS RHO-KINASE INHIBITORS | SANOFI-AVENTIS (FR) | 2008-07-03 | — | — | WO | disclosed |