Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 6/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL10685834 | 0.83 | TDP1 (0.39) | CHRNA7CYP1A2CYP2D6TBXAS1TDP1 | |
| SCHEMBL10681531 | 0.83 | CHRNA7 (0.52) | CHRNA7CYP1A2CYP2D6CYP2A6TBXAS1 | |
| SCHEMBL5020713 | 0.78 | MAOA (0.56) | CYP2A6 | |
| SCHEMBL29485692 | 0.78 | CHRNA7 (0.74) | CHRNA7CYP1A2CYP2D6CYP2A6TBXAS1 | |
| SCHEMBL724866 | 0.78 | CHRNA7 (0.74) | CHRNA7CYP1A2CYP2D6CYP2A6TBXAS1 | |
| SCHEMBL25263445 | 0.77 | CYP1A2 (0.48) | CHRNA7CYP1A2CYP2D6CYP2A6TBXAS1 | |
| SCHEMBL9035635 | 0.77 | MAOA (0.68) | TDP1 | |
| SCHEMBL5915884 | 0.77 | LTA4H (0.60) | CYP1A2CYP2D6L3MBTL1 | |
| SCHEMBL12062568 | 0.76 | PLOD2 (0.48) | CYP1A2CYP2D6TBXAS1TDP1 | |
| SCHEMBL18003428 | 0.76 | DAO (0.47) | L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4745120-A | CARDIOYASCULAR DISORDERS, ANTICOAGULANTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-05-17 | — | — | US | disclosed |
| EP-0173172-A2 | 3-Pyridyl compounds and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-03-05 | — | — | EP | disclosed |