Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.31 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL21840110 | 0.88 | CYP46A1 (0.40) | OPRM1CYP46A1KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL13451904 | 0.85 | APP (0.36) | OPRM1KMT2ACYP3A4 | |
| SCHEMBL321213 | 0.83 | ALDH1A1 (0.34) | ALDH1A1LMNA | |
| SCHEMBL27189757 | 0.80 | ALDH1A1 (0.34) | OPRM1ALDH1A1AVPR1ALMNA | |
| SCHEMBL26665820 | 0.78 | CYP46A1 (0.39) | OPRM1CYP46A1KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL9175762 | 0.76 | POLB (0.35) | KMT2AALDH1A1 | |
| SCHEMBL17763731 | 0.76 | TET3 (0.30) | KMT2A | |
| SCHEMBL24012274 | 0.75 | USP2 (0.44) | — | |
| SCHEMBL19738853 | 0.75 | CYP1A2 (0.43) | CYP46A1KMT2AALDH1A1MAPK1CYP2C19 | |
| SCHEMBL27189643 | 0.74 | ALDH1A1 (0.30) | ALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114591212-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-108289893-B | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-109476645-A | New pyrimidine carboxamide as VANIN-1 enzyme inhibitor | 辉瑞大药厂 | 2019-03-15 | — | — | CN | disclosed |