Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 4/20 | 0.51 |
| ▸ | ESR1 | P03372 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 3/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL56063 | 0.82 | ESR2 (0.60) | ESR2ESR1ALDH1A1MEN1CYP1A2 | |
| SCHEMBL10566845 | 0.81 | ESR2 (0.56) | ESR2ESR1ALDH1A1MEN1CYP1A2 | |
| SCHEMBL28978055 | 0.78 | ESR2 (0.56) | ESR2ESR1ALDH1A1MEN1CYP1A2 | |
| SCHEMBL5163915 | 0.78 | ESR2 (0.56) | ESR2ESR1ALDH1A1MEN1CYP1A2 | |
| SCHEMBL10564004 | 0.78 | ESR2 (0.56) | ESR2ESR1ALDH1A1MEN1CYP1A2 | |
| SCHEMBL6383255 | 0.78 | ESR2 (0.83) | ESR2ESR1ALDH1A1MEN1CYP1A2 | |
| SCHEMBL11788128 | 0.78 | ESR2 (0.56) | ESR2ESR1ALDH1A1MEN1CYP1A2 | |
| SCHEMBL11018798 | 0.78 | ESR2 (0.56) | ESR2ESR1ALDH1A1MEN1CYP1A2 | |
| SCHEMBL10569737 | 0.78 | ESR2 (0.56) | ESR2ESR1ALDH1A1MEN1CYP1A2 | |
| SCHEMBL9127626 | 0.78 | ESR2 (0.56) | ESR2ESR1ALDH1A1MEN1CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113713858-B | Alpha alkylation reaction catalyst of nitrile and preparation method thereof | 郑州大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-113559939-B | Alpha alkylation reaction catalyst of nitrile and preparation method thereof | 郑州大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-113713858-A | Alpha alkylation reaction catalyst of nitrile and preparation method thereof | 郑州大学 | 2021-11-30 | — | — | CN | disclosed |
| CN-113559939-A | Alpha alkylation reaction catalyst for nitrile and preparation method thereof | 郑州大学 | 2021-10-29 | — | — | CN | disclosed |
| CN-110026244-B | Alpha alkylation reaction catalyst of nitrile and application thereof | 郑州大学 | 2021-06-18 | — | — | CN | disclosed |