Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | PTPRF | P10586 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | AXL | P30530 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27300041 | 0.86 | BACE1 (0.44) | BACE1PTPN1PTPRCPTPRFCDC25B | |
| SCHEMBL29723223 | 0.70 | KDM4E (0.46) | ALDH1A1KDM4EGAAHPGDHSD17B10 | |
| SCHEMBL29999313 | 0.69 | PTPN1 (0.53) | PTPN1ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL5531506 | 0.67 | BACE1 (0.64) | BACE1PTPN1PTPRCPTPRFCDC25B | |
| SCHEMBL625895 | 0.65 | — | — | |
| SCHEMBL41940 | 0.64 | BACE1 (0.46) | BACE1PTPN1PTPRCPTPRFCDC25B | |
| SCHEMBL134702 | 0.64 | BACE1 (0.73) | BACE1PTPN1PTPRCPTPRFCDC25B | |
| SCHEMBL987908 | 0.64 | BACE1 (1.00) | BACE1PTPN1PTPRCPTPRFCDC25B | |
| SCHEMBL221295 | 0.62 | BACE1 (0.65) | BACE1PTPN1PTPRCPTPRFCDC25B | |
| SCHEMBL12480578 | 0.62 | BACE1 (0.60) | BACE1PTPN1PTPRCPTPRFCDC25B |
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-110003234-B | Dithienobenzo-isoaromatic-based hetero-condensed ring D (A-Ar)2Conjugated compound and application thereof | 常州大学 | 2021-08-24 | — | — | CN | disclosed |
| CN-112585690-A | System and method for producing individualized individual unit doses containing a pharmaceutically active substance | 阿奎斯蒂弗医疗股份有限公司 | 2021-03-30 | — | — | CN | disclosed |