Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | PDE5A | O76074 | 10/20 | 0.51 |
| ▸ | GUCY1A1 | Q02108 | 8/20 | 0.47 |
| ▸ | GUCY1B1 | Q02153 | 8/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18212218 | 0.85 | ADORA3 (0.58) | ADORA3KCNH2PDE5AGUCY1A1GUCY1B1 | |
| Etriciguat SCHEMBL419874 | 0.83 | ADORA3 (0.56) | ADORA3KCNH2PDE5AGUCY1A1GUCY1B1 | |
| Etriciguat SCHEMBL29388720 | 0.83 | ADORA3 (0.56) | ADORA3KCNH2PDE5AGUCY1A1GUCY1B1 | |
| SCHEMBL174189 | 0.82 | ADORA3 (0.61) | ADORA3KCNH2PDE5AGUCY1A1GUCY1B1 | |
| SCHEMBL174830 | 0.81 | ADORA3 (0.63) | ADORA3KCNH2PDE5AGUCY1A1GUCY1B1 | |
| SCHEMBL20068304 | 0.81 | PDE5A (0.51) | ADORA3KCNH2PDE5AGUCY1A1GUCY1B1 | |
| SCHEMBL7835258 | 0.81 | ADORA3 (0.65) | ADORA3KCNH2PDE5AGUCY1A1GUCY1B1 | |
| SCHEMBL27557251 | 0.81 | ADORA3 (0.60) | ADORA3KCNH2PDE5AGUCY1A1GUCY1B1 | |
| Hydrochloric Acid SCHEMBL18496411 | 0.80 | ADORA3 (0.66) | ADORA3KCNH2PDE5AGUCY1A1GUCY1B1 | |
| Hydrochloric Acid SCHEMBL1930775 | 0.80 | ADORA3 (0.66) | ADORA3KCNH2PDE5AGUCY1A1GUCY1B1 |
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-1102767-B1 | SUBSTITUTED PYRAZOLE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2005-11-02 | — | — | EP | disclosed |
| US-6833364-B1 | Inhibiting degradation of cyclic guanosine monophosphate; cardiovascular disorders; such as 3-(4-amino-5-cyclopropyl-pyrimidin-2-yl)-1-(2-fluorobenzyl)1H-pyrazolo-(3,4 -b)-pyridine | BAYER HEALTHCARE AG (DE) | 2004-12-21 | — | — | US | disclosed |