Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28858460 | 1.00 | CES2 (0.44) | CES2CES1TSHRMAPK1L3MBTL1 | |
| SCHEMBL16795702 | 1.00 | CES2 (0.44) | CES2CES1TSHRMAPK1L3MBTL1 | |
| SCHEMBL16634441 | 0.77 | MAPT (0.44) | TSHRMAPK1ALOX15CYP3A4CA1 | |
| SCHEMBL2011615 | 0.75 | CES2 (0.44) | CES2CES1CA1CA2PTGS1 | |
| SCHEMBL28472161 | 0.75 | CES2 (0.44) | CES2CES1TSHRMAPK1L3MBTL1 | |
| SCHEMBL28619042 | 0.75 | CES2 (0.44) | CES2CES1TSHRMAPK1L3MBTL1 | |
| SCHEMBL5905850 | 0.74 | CES1 (0.39) | CES2CES1TSHRMAPK1L3MBTL1 | |
| SCHEMBL5905848 | 0.74 | CES1 (0.39) | CES2CES1TSHRMAPK1L3MBTL1 | |
| SCHEMBL1120634 | 0.73 | PTGS1 (0.50) | CES2CES1TSHRMAPK1L3MBTL1 | |
| SCHEMBL16795552 | 0.73 | PTGS1 (0.50) | CES2CES1TSHRMAPK1L3MBTL1 |
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-115197046-B | Halogenation method of unsaturated hydrocarbon | 华南理工大学 | 2023-12-15 | — | — | CN | disclosed |
| CN-115197046-A | Halogenation method of unsaturated hydrocarbon | 华南理工大学 | 2022-10-18 | — | — | CN | disclosed |
| WO-2015087094-A1 | NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | SEMMELWEIS EGYETEM (HU) | 2015-06-18 | — | — | WO | disclosed |