Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.32 |
| ▸ | CACNA1I | Q9P0X4 | 4/20 | 0.31 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL27432388 | 0.78 | CYP2D6 (0.41) | CYP1A2CYP2D6ALOX15KCNH2CACNA1I | |
| SCHEMBL18633087 | 0.76 | NCF1 (0.52) | NCF1 | |
| SCHEMBL21421764 | 0.74 | CYP1A2 (0.33) | CYP1A2CYP2D6ALOX15KCNH2 | |
| SCHEMBL23806903 | 0.72 | CYP2D6 (0.47) | CYP1A2CYP2D6NCF1 | |
| SCHEMBL21726766 | 0.72 | NAMPT (0.38) | CYP1A2CYP2D6ALOX15KCNH2CACNA1I | |
| Hydrochloric Acid SCHEMBL31097578 | 0.70 | TSHR (0.46) | CYP1A2CYP2D6ALOX15KCNH2 | |
| SCHEMBL15112759 | 0.70 | GPR119 (0.30) | — | |
| SCHEMBL31097579 | 0.69 | TSHR (0.53) | CYP1A2CYP2D6ALOX15KCNH2 | |
| SCHEMBL24856292 | 0.69 | KCNH2 (0.33) | CYP1A2CYP2D6ALOX15KCNH2CACNA1I | |
| SCHEMBL23945977 | 0.69 | CYP3A4 (0.36) | NAMPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3697781-B1 | ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | UNIV VANDERBILT (US) | 2023-06-07 | — | — | EP | disclosed |