Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 5/20 | 0.42 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 3/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | EIF4E | P06730 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| SCHEMBL23581243 | 1.00 | SRC (0.42) | SRCP2RX3EGFRERBB2LRRK2 | |
| SCHEMBL23581184 | 0.80 | LRRK2 (0.43) | SRCEGFRERBB2LRRK2MEN1 | |
| SCHEMBL30150797 | 0.80 | LRRK2 (0.43) | SRCEGFRERBB2LRRK2MEN1 | |
| SCHEMBL20168442 | 0.77 | XDH (0.43) | SRCP2RX3KCNQ3KCNQ2XDH | |
| SCHEMBL23581172 | 0.76 | JAK2 (0.52) | — | |
| SCHEMBL30150798 | 0.76 | JAK2 (0.52) | — | |
| SCHEMBL23606807 | 0.76 | ALDH1A1 (0.46) | SRCEGFRERBB2LRRK2XDH | |
| SCHEMBL21600850 | 0.74 | GAA (0.50) | SRCEGFRERBB2MEN1GAA | |
| SCHEMBL30379210 | 0.74 | GAA (0.50) | SRCEGFRERBB2MEN1GAA | |
| SCHEMBL31395036 | 0.74 | XDH (0.46) | SRCP2RX3KCNQ3KCNQ2XDH |
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 |