Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.46 |
| ▸ | ESR1 | P03372 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 4/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28978058 | 0.87 | CTSB (0.44) | ESR2ESR1MEN1ALDH1A1CYP1A2 | |
| SCHEMBL30366298 | 0.85 | ESR2 (0.43) | ESR2ESR1MEN1ALDH1A1CYP1A2 | |
| SCHEMBL28606109 | 0.84 | ESR2 (0.56) | ESR2ESR1MEN1ALDH1A1CYP1A2 | |
| SCHEMBL28313381 | 0.83 | TACR1 (0.42) | MEN1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL56063 | 0.81 | ESR2 (0.60) | ESR2ESR1MEN1ALDH1A1CYP1A2 | |
| SCHEMBL11018798 | 0.81 | ESR2 (0.56) | ESR2ESR1MEN1ALDH1A1CYP1A2 | |
| SCHEMBL28606112 | 0.80 | CTSB (0.50) | ESR2ESR1MEN1ALDH1A1CYP1A2 | |
| SCHEMBL11031267 | 0.75 | ALDH1A1 (0.46) | ESR2ESR1MEN1ALDH1A1CYP1A2 | |
| SCHEMBL30167294 | 0.75 | SLC6A2 (0.51) | ESR2ESR1MEN1ALDH1A1CYP1A2 | |
| SCHEMBL10399110 | 0.75 | SLC6A2 (0.51) | ESR2ESR1MEN1ALDH1A1CYP1A2 |
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 |