Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | ICMT | O60725 | 2/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PI4KA | P42356 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3723622 | 0.78 | ROCK2 (0.42) | CYP2D6CYP2C9CYP3A4HRH3CHRNB2 | |
| SCHEMBL3805901 | 0.72 | ROCK2 (0.58) | — | |
| SCHEMBL3715554 | 0.72 | PIM1 (0.46) | HRH3 | |
| SCHEMBL333569 | 0.69 | PIK3CD (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL5096842 | 0.69 | MAPT (0.50) | KCNH2HRH3CHRNB2CHRNA4ADRA1A | |
| SCHEMBL7387972 | 0.68 | MAPT (0.41) | HRH3CHRNB2CHRNA4 | |
| SCHEMBL5577859 | 0.68 | HTR2A (0.47) | ADRA1AHTR2AHTR2C | |
| SCHEMBL5553179 | 0.66 | KDM4E (0.40) | HRH3CHRNB2CHRNA4 | |
| SCHEMBL3713952 | 0.66 | ROCK2 (0.51) | HRH3 | |
| SCHEMBL4360471 | 0.65 | GSR (0.37) | HRH3CHRNB2CHRNA4 |
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-2234618-A1 | BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS | The Scripps Research Institute (US) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009079008-A1 | BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS | FENG YANGBO (US) | 2009-06-25 | — | — | WO | disclosed |