Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.53 |
| ▸ | LCK | P06239 | 2/20 | 0.53 |
| ▸ | KDR | P35968 | 2/20 | 0.53 |
| ▸ | JAK3 | P52333 | 1/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.47 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30912753 | 0.96 | EGFR (0.57) | EGFRLCKKDRJAK3MAPK14 | |
| SCHEMBL610225 | 0.96 | EGFR (0.57) | EGFRLCKKDRJAK3MAPK14 | |
| Benzene SCHEMBL27889171 | 0.81 | LCK (0.50) | LCKKDRJAK3MAPK14ALDH1A1 | |
| SCHEMBL5494272 | 0.81 | LCK (0.58) | EGFRLCKKDRJAK3MAPK14 | |
| SCHEMBL5488838 | 0.80 | MAP4K4 (0.61) | LCKKDRJAK3MAPK14ALDH1A1 | |
| SCHEMBL2741576 | 0.79 | LCK (0.65) | LCKKDRJAK3MAPK14KIT | |
| SCHEMBL24150165 | 0.79 | HTT (0.58) | EGFRLCKKDRJAK3MAPK14 | |
| SCHEMBL3191937 | 0.78 | TLR9 (0.57) | EGFRALDH1A1HSD17B10KDM4EATM | |
| SCHEMBL2130969 | 0.76 | PIK3CG (0.53) | LCKKDRJAK3MAPK14KDM4E | |
| SCHEMBL2632884 | 0.76 | LCK (0.57) | LCKKDRJAK3MAPK14ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102850397-B | Multi-target antitumor compounds and preparation method and application thereof | UNIV BEIJING | 2015-02-18 | — | — | CN | claimed |
| CN-102850397-A | Multi-target antitumor compounds and preparation method and application thereof | UNIV BEIJING | 2013-01-02 | — | — | CN | claimed |
| CN-102850397-B | Multi-target antitumor compounds and preparation method and application thereof | UNIV BEIJING | 2015-02-18 | — | — | CN | disclosed |
| CN-102850397-A | Multi-target antitumor compounds and preparation method and application thereof | UNIV BEIJING | 2013-01-02 | — | — | CN | disclosed |