Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | PTGES2 | Q9H7Z7 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.39 |
| ▸ | FEN1 | P39748 | 3/20 | 0.39 |
| ▸ | CETP | P11597 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30839678 | 0.87 | CA1 (0.42) | PTGES2ALDH1A1CA1CA2CA9 | |
| SCHEMBL30839674 | 0.82 | PTGES2 (0.43) | PTGES2CA1CA2CA9CA12 | |
| SCHEMBL31148848 | 0.81 | PTGES2 (0.40) | PTGES2ALDH1A1LMNACA1CA2 | |
| SCHEMBL30839677 | 0.79 | ELANE (0.41) | PTGES2ALDH1A1CA1CA2CA9 | |
| SCHEMBL30839675 | 0.79 | PDIA6 (0.42) | PTGES2ALDH1A1LMNACA1CA2 | |
| SCHEMBL30839679 | 0.74 | PTGES2 (0.44) | PTGES2ALDH1A1LMNAL3MBTL1CA1 | |
| SCHEMBL6191403 | 0.71 | PDIA6 (0.49) | MCL1PTGES2ALOX5APFEN1LMNA | |
| SCHEMBL29458370 | 0.71 | PDIA6 (0.49) | MCL1PTGES2ALOX5APFEN1LMNA | |
| SCHEMBL30988959 | 0.71 | PTGES2 (0.46) | MCL1PTGES2HSP90AA1CA1CA2 | |
| SCHEMBL13694202 | 0.67 | MAOA (0.52) | MCL1HSP90AA1ALDH1A1L3MBTL1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117417350-A | Preparation method of bridged ring compound containing dibenzoazacyclooctane structure | 四川大学 | 2024-01-19 | — | — | CN | disclosed |