Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PLK4 | O00444 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4584902 | 0.96 | ALDH1A1 (0.46) | ALDH1A1MAPK1BACE1CRHBPCRHR2 | |
| SCHEMBL3418910 | 0.96 | ALDH1A1 (0.46) | ALDH1A1MAPK1BACE1CRHBPCRHR2 | |
| SCHEMBL2208749 | 0.94 | ALDH1A1 (0.48) | ALDH1A1MAPK1BACE1CRHBPCRHR2 | |
| SCHEMBL16080048 | 0.90 | ALDH1A1 (0.42) | ALDH1A1MAPK1BACE1CRHBPCRHR2 | |
| SCHEMBL14281969 | 0.90 | ALDH1A1 (0.45) | ALDH1A1MAPK1BACE1CRHBPCRHR2 | |
| SCHEMBL260886 | 0.87 | BACE1 (0.48) | ALDH1A1MAPK1BACE1HPGDKDM4E | |
| SCHEMBL28031158 | 0.85 | ALDH1A1 (0.41) | ALDH1A1MAPK1BACE1CRHBPCRHR2 | |
| SCHEMBL30044509 | 0.85 | ALDH1A1 (0.41) | ALDH1A1MAPK1BACE1CRHBPCRHR2 | |
| SCHEMBL28136349 | 0.85 | ALDH1A1 (0.41) | ALDH1A1MAPK1BACE1CRHBPCRHR2 | |
| SCHEMBL4584768 | 0.84 | BACE1 (0.46) | ALDH1A1MAPK1BACE1HPGDKDM4E |
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-104876825-B | A kind of derivant of pyrene and its preparation method and application | 北京印刷学院 | 2017-03-01 | — | — | CN | disclosed |