Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.42 |
| ▸ | CPA3 | P15088 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11701561 | 0.84 | PPARG (0.57) | HDAC1AKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL28456605 | 0.83 | L3MBTL1 (0.53) | AKR1C3AKR1C2CYP1A2AKR1C1PTGS1 | |
| SCHEMBL6503796 | 0.82 | HDAC1 (0.65) | HDAC1HDAC8CYP1A2UGT2B7PTPN7 | |
| SCHEMBL31038326 | 0.81 | AKR1C3 (0.51) | AKR1C3AKR1C2AKR1C1PTGS1PPARG | |
| SCHEMBL6367244 | 0.81 | AKR1C3 (0.51) | AKR1C3AKR1C2AKR1C1PTGS1PPARG | |
| SCHEMBL3448868 | 0.81 | AKR1C3 (0.51) | AKR1C3AKR1C2AKR1C1PTGS1PPARG | |
| SCHEMBL6367245 | 0.81 | AKR1C3 (0.51) | AKR1C3AKR1C2AKR1C1PTGS1PPARG | |
| SCHEMBL7799567 | 0.81 | AKR1C3 (0.52) | HDAC1HDAC8AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL652523 | 0.81 | CYP2C19 (0.53) | CYP1A2CPA3CYP3A4CYP2D6KDM4E | |
| SCHEMBL27491825 | 0.81 | CYP2C19 (0.53) | CYP1A2CPA3CYP3A4CYP2D6KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113444005-B | Method for synthesizing novel glutaric acid compound from diaryl substituted non-activated olefin | 四川大学 | 2023-03-03 | — | — | CN | disclosed |
| CN-113444005-A | Method for synthesizing novel glutaric acid compound from diaryl substituted non-activated olefin | 四川大学 | 2021-09-28 | — | — | CN | disclosed |