Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 12/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22105361 | 0.78 | P2RX3 (0.32) | PDE5AP2RX3PDE4APDE4BPDE4C | |
| SCHEMBL24092237 | 0.78 | P2RX3 (0.35) | PDE5AP2RX3PDE4APDE4BPDE4C | |
| SCHEMBL22105701 | 0.78 | PDE5A (0.50) | PDE5AADORA3 | |
| SCHEMBL24495686 | 0.77 | PDE5A (0.37) | PDE5AP2RX3PDE4APDE4BPDE4C | |
| SCHEMBL22105755 | 0.77 | PDE5A (0.34) | PDE5AP2RX3PDE4APDE4BPDE4C | |
| SCHEMBL22105397 | 0.76 | PDE5A (0.48) | PDE5AADORA3 | |
| SCHEMBL22105697 | 0.75 | ADORA3 (0.42) | PDE5AP2RX3ADORA3 | |
| SCHEMBL22105742 | 0.75 | P2RX3 (0.33) | PDE5AP2RX3 | |
| SCHEMBL22105716 | 0.74 | ADORA3 (0.33) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL22105406 | 0.74 | ADORA3 (0.41) | PDE5AP2RX3ADORA3 |
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-3894410-B1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2023-10-11 | — | — | EP | disclosed |
| WO-2020120450-A1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-06-18 | — | — | WO | disclosed |