Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24086661 | 0.86 | CYP3A4 (0.33) | CYP3A4CYP2A6CYP2B6CYP2C19APLNR | |
| SCHEMBL13315484 | 0.83 | LMNA (0.32) | CYP3A4CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL23489980 | 0.79 | PDE2A (0.31) | PDE2A | |
| SCHEMBL24086587 | 0.79 | PDE2A (0.31) | PDE2A | |
| SCHEMBL594120 | 0.78 | PDE2A (0.30) | PDE2A | |
| SCHEMBL23489632 | 0.78 | PDE2A (0.44) | PDE2A | |
| SCHEMBL16703147 | 0.76 | — | — | |
| SCHEMBL23489636 | 0.76 | PDE2A (0.40) | PDE2A | |
| SCHEMBL24122426 | 0.75 | ALDH1A1 (0.35) | APLNRPDE2A | |
| SCHEMBL13315479 | 0.72 | TLR9 (0.33) | CYP3A4CYP2A6CYP2B6CYP2C19FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116157154-A | Plasma kallikrein inhibitors | 默沙东有限责任公司 | 2023-05-23 | — | — | CN | disclosed |
| EP-4178620-A1 | PLASMA KALLIKREIN INHIBITORS | Merck Sharp & Dohme LLC (US) | 2023-05-17 | — | — | EP | disclosed |