Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ULK1 | O75385 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23581184 | 1.00 | LRRK2 (0.43) | LRRK2PIN1KMT2AALDH1A1MEN1 | |
| SCHEMBL23606807 | 0.87 | ALDH1A1 (0.46) | LRRK2KMT2AALDH1A1MEN1GAA | |
| SCHEMBL25139975 | 0.86 | P2RX3 (0.42) | LRRK2PIN1SRCEGFRERBB2 | |
| SCHEMBL23606894 | 0.86 | MKNK2 (0.44) | LRRK2SRCEGFRERBB2 | |
| SCHEMBL23606898 | 0.86 | SRC (0.44) | LRRK2SRCEGFRERBB2MAPT | |
| SCHEMBL25139781 | 0.85 | KMT2A (0.43) | LRRK2KMT2AALDH1A1MEN1GAA | |
| SCHEMBL25139830 | 0.85 | MKNK2 (0.53) | LRRK2SRCMAPTALK | |
| SCHEMBL23606785 | 0.85 | MEN1 (0.40) | LRRK2KMT2AALDH1A1MEN1GAA | |
| SCHEMBL23606896 | 0.85 | LRRK2 (0.43) | LRRK2EGFRERBB2MAPTALK | |
| SCHEMBL23606786 | 0.85 | EIF4E (0.46) | LRRK2PIN1SRCEGFRERBB2 |
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-113087671-B | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2022-10-21 | — | — | CN | disclosed |