Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.81 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.81 |
| ▸ | GUCY1A1 | Q02108 | 9/20 | 0.52 |
| ▸ | GUCY1B1 | Q02153 | 9/20 | 0.52 |
| ▸ | PDE5A | O76074 | 9/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10242938 | 0.93 | ADORA3 (0.81) | KCNH2ADORA3GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL10062588 | 0.93 | ADORA3 (0.76) | KCNH2ADORA3GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL174905 | 0.92 | KCNH2 (0.79) | KCNH2ADORA3GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL175338 | 0.91 | ADORA3 (0.78) | KCNH2ADORA3GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL255819 | 0.91 | ADORA3 (0.78) | KCNH2ADORA3GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL460958 | 0.91 | ADORA3 (0.73) | KCNH2ADORA3GUCY1A1GUCY1B1PDE5A | |
| Riociguat SCHEMBL29419573 | 0.90 | KCNH2 (1.00) | KCNH2ADORA3GUCY1A1GUCY1B1PDE5A | |
| Riociguat SCHEMBL29357210 | 0.90 | KCNH2 (1.00) | KCNH2ADORA3GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL256202 | 0.90 | KCNH2 (0.84) | KCNH2ADORA3GUCY1A1GUCY1B1PDE5A | |
| Riociguat SCHEMBL245457 | 0.90 | KCNH2 (1.00) | KCNH2ADORA3GUCY1A1GUCY1B1PDE5A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012010578-A1 | SUBSTITUTED METHYL-PYRIMIDIN-5-YL CARBAMATES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-01-26 | — | — | WO | disclosed |
| WO-2012010578-A1 | SUBSTITUTED METHYL-PYRIMIDIN-5-YL CARBAMATES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-01-26 | — | — | WO | disclosed |