Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28025835 | 0.75 | HSP90AA1 (0.50) | PTPN1GSK3BCES1MAPTTDP1 | |
| SCHEMBL9658068 | 0.72 | APP (0.52) | PTPN1CES1MAPTTDP1MAPK1 | |
| SCHEMBL1193649 | 0.67 | ALDH1A1 (0.45) | CES1MAPTTDP1MAPK1CYP3A4 | |
| SCHEMBL181161 | 0.67 | CES1 (0.41) | CES1MAPTTDP1MAPK1CYP3A4 | |
| SCHEMBL2106149 | 0.67 | CES1 (0.41) | CES1MAPTTDP1MAPK1CYP3A4 | |
| SCHEMBL7040865 | 0.65 | CES1 (0.39) | PTPN1GSK3BCES1MAPTTDP1 | |
| SCHEMBL7040868 | 0.65 | CES1 (0.39) | PTPN1GSK3BCES1MAPTTDP1 | |
| SCHEMBL27637572 | 0.64 | CES1 (0.50) | CES1MAPTTDP1MAPK1CYP3A4 | |
| SCHEMBL28153002 | 0.64 | CES1 (0.50) | CES1MAPTTDP1MAPK1CYP3A4 | |
| SCHEMBL10455142 | 0.63 | CES1 (0.50) | PTPN1GSK3BCES1MAPTTDP1 |
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-117362190-A | Preparation method of polysubstituted olefin | 广东工业大学 | 2024-01-09 | — | — | CN | disclosed |