Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8378600 | 1.00 | APP (0.48) | APPPTGS1PDE4ALMNASLC6A6 | |
| SCHEMBL8374880 | 1.00 | APP (0.48) | APPPTGS1PDE4ALMNASLC6A6 | |
| SCHEMBL9473332 | 1.00 | APP (0.48) | APPPTGS1PDE4ALMNASLC6A6 | |
| SCHEMBL9473268 | 1.00 | APP (0.48) | APPPTGS1PDE4ALMNASLC6A6 | |
| Hydrochloric Acid SCHEMBL1479526 | 0.97 | APP (0.46) | APPPTGS1PDE4ALMNASLC6A6 | |
| SCHEMBL1111623 | 0.97 | — | — | |
| SCHEMBL9459879 | 0.94 | APP (0.48) | APPPTGS1PDE4ALMNASLC6A6 | |
| Fluoride SCHEMBL11761633 | 0.94 | APP (0.48) | APPPTGS1PDE4ALMNASLC6A6 | |
| Hydrochloric Acid SCHEMBL1479563 | 0.94 | APP (0.48) | APPPTGS1PDE4ALMNASLC6A6 | |
| SCHEMBL388190 | 0.88 | — | — |
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-114805028-B | Method for removing trace aldehyde impurities in 1, 3-propylene glycol | 万华化学集团股份有限公司 | 2023-07-14 | — | — | CN | disclosed |