Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | GUCY1A1 | Q02108 | 15/20 | 0.51 |
| ▸ | GUCY1B1 | Q02153 | 15/20 | 0.51 |
| ▸ | PDE5A | O76074 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15732792 | 0.90 | ADORA3 (0.55) | ADORA3KCNH2GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL174864 | 0.85 | ADORA3 (0.54) | ADORA3KCNH2GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL173814 | 0.84 | ADORA3 (0.54) | ADORA3KCNH2GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL15744749 | 0.84 | ADORA3 (0.53) | ADORA3KCNH2GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL256239 | 0.83 | ADORA3 (0.63) | ADORA3KCNH2GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL19146473 | 0.82 | ADORA3 (0.61) | ADORA3KCNH2GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL257105 | 0.81 | PDE5A (0.58) | ADORA3KCNH2GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL10242993 | 0.80 | ADORA3 (0.57) | ADORA3KCNH2GUCY1A1GUCY1B1PDE5A | |
| SCHEMBL256241 | 0.79 | ADORA3 (0.57) | ADORA3KCNH2GUCY1A1GUCY1B1PDE5A | |
| Formic Acid SCHEMBL15732878 | 0.79 | PDE5A (0.56) | ADORA3KCNH2GUCY1A1GUCY1B1PDE5A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012028647-A1 | BICYCLIC AZA HETEROCYCLES, AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-03-08 | — | — | WO | disclosed |