Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.41 |
| ▸ | JAK2 | O60674 | 4/20 | 0.41 |
| ▸ | JAK3 | P52333 | 3/20 | 0.41 |
| ▸ | TDO2 | P48775 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 4/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | GAK | O14976 | 2/20 | 0.37 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | TNIK | Q9UKE5 | 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 | |
|---|---|---|---|---|
| SCHEMBL30213605 | 0.89 | EGFR (0.45) | EGFRJAK2JAK3TDO2KDR | |
| SCHEMBL30213753 | 0.84 | EGFR (0.47) | EGFRJAK2JAK3TDO2KDR | |
| SCHEMBL28546121 | 0.81 | AIMP2 (0.45) | EGFRJAK2JAK3TDO2KDR | |
| SCHEMBL30213747 | 0.81 | AIMP2 (0.45) | EGFRJAK2JAK3TDO2KDR | |
| SCHEMBL28539842 | 0.77 | AXL (0.48) | EGFRJAK3KDRERBB2 | |
| SCHEMBL28546210 | 0.72 | EGFR (0.48) | EGFRTDO2KDRERBB2KCNH2 | |
| SCHEMBL28911198 | 0.72 | EGFR (0.55) | EGFRERBB2KCNH2 | |
| SCHEMBL30213714 | 0.71 | EGFR (0.49) | EGFRGAKKCNH2 | |
| SCHEMBL30213776 | 0.70 | EGFR (0.55) | EGFRKDR | |
| SCHEMBL15522255 | 0.69 | ROCK1 (0.49) | EGFRTDO2KDRIDO1GAK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112574177-A | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2021-03-30 | — | — | CN | claimed |
| CN-112574177-B | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-112574177-A | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2021-03-30 | — | — | CN | disclosed |