Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 1/20 | 0.48 |
| ▸ | IGF1R | P08069 | 3/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.43 |
| ▸ | KDR | P35968 | 3/20 | 0.43 |
| ▸ | AURKA | O14965 | 6/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.40 |
| ▸ | RET | P07949 | 4/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 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 | |
|---|---|---|---|---|
| SCHEMBL28639456 | 0.82 | HDAC1 (0.53) | RET | |
| SCHEMBL30363242 | 0.82 | HDAC1 (0.53) | RET | |
| SCHEMBL23963005 | 0.79 | ITK (0.53) | ITKIGF1RFGFR1KDRAURKA | |
| SCHEMBL23929024 | 0.78 | AURKA (0.53) | ITKIGF1RFGFR1KDRAURKA | |
| SCHEMBL23962996 | 0.68 | AURKA (0.52) | ITKKDRAURKAAURKB | |
| SCHEMBL18154707 | 0.67 | ITK (0.65) | ITKIGF1RFGFR1KDRAURKA | |
| SCHEMBL30230471 | 0.67 | ITK (0.65) | ITKIGF1RFGFR1KDRAURKA | |
| SCHEMBL23963003 | 0.67 | ITK (0.44) | ITKIGF1RFGFR1KDRAURKA | |
| SCHEMBL18297012 | 0.65 | ITK (0.50) | ITKIGF1RFGFR1KDRAURKA | |
| SCHEMBL5766890 | 0.65 | IGF1R (0.50) | ITKIGF1RFGFR1KDRAURKA |
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-113549057-B | Snail inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-113549057-A | Snail inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2021-10-26 | — | — | CN | disclosed |