Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 17/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.48 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL175344 | 0.89 | ADORA3 (0.63) | PDE5AADORA3KCNH2GUCY1A1GUCY1B1 | |
| SCHEMBL174574 | 0.86 | PDE5A (0.62) | PDE5AADORA3KCNH2GUCY1A1GUCY1B1 | |
| SCHEMBL174495 | 0.85 | ADORA3 (0.61) | PDE5AADORA3KCNH2 | |
| SCHEMBL6859150 | 0.84 | PDE5A (0.62) | PDE5AADORA3KCNH2 | |
| SCHEMBL175137 | 0.84 | PDE5A (0.61) | PDE5AADORA3KCNH2 | |
| SCHEMBL14362950 | 0.81 | ADORA3 (0.71) | PDE5AADORA3KCNH2GUCY1A1GUCY1B1 | |
| SCHEMBL5468137 | 0.81 | ADORA3 (0.64) | PDE5AADORA3KCNH2GUCY1A1GUCY1B1 | |
| SCHEMBL6214550 | 0.80 | PDE5A (0.58) | PDE5AADORA3KCNH2 | |
| SCHEMBL5477476 | 0.80 | ADORA3 (0.67) | PDE5AADORA3KCNH2GUCY1A1GUCY1B1 | |
| SCHEMBL4939648 | 0.80 | ADORA3 (0.64) | PDE5AADORA3KCNH2GUCY1A1GUCY1B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611802-B1 | BICYCLIC AZA-HETEROCYCLES AND THEIR USE | BAYER IP GMBH (DE) | 2016-02-24 | — | — | EP | disclosed |
| EP-2611802-A1 | BICYCLIC AZA HETEROCYCLES, AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012028647-A1 | BICYCLIC AZA HETEROCYCLES, AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-03-08 | — | — | WO | disclosed |