Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | ALPG | P10696 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27782158 | 0.73 | LMNA (0.47) | LMNACES2CES1TDP1L3MBTL1 | |
| SCHEMBL12373167 | 0.73 | TDP1 (0.44) | LMNACES2CES1TDP1L3MBTL1 | |
| SCHEMBL740027 | 0.73 | CES1 (0.45) | LMNACES2CES1TDP1L3MBTL1 | |
| SCHEMBL7342834 | 0.70 | LMNA (0.52) | LMNACES2CES1TDP1L3MBTL1 | |
| SCHEMBL28262205 | 0.69 | LMNA (0.47) | LMNACES2CES1TDP1L3MBTL1 | |
| Water SCHEMBL468373 | 0.69 | CES1 (0.60) | LMNACES2CES1TDP1L3MBTL1 | |
| SCHEMBL10741256 | 0.69 | TDP1 (0.47) | LMNACES2CES1TDP1L3MBTL1 | |
| Water SCHEMBL10705607 | 0.68 | CES1 (0.44) | LMNACES2CES1TDP1L3MBTL1 | |
| SCHEMBL23091851 | 0.68 | TDP1 (0.50) | LMNACES2CES1TDP1L3MBTL1 | |
| SCHEMBL408412 | 0.68 | TDP1 (0.50) | LMNACES2CES1TDP1L3MBTL1 |
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-109311892-A | Preparation method of chiral pyrrolopyrimidine compound | 正大天晴药业集团股份有限公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-108699063-A | Synthesis process of luccotinib | 正大天晴药业集团股份有限公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-107513069-A | The preparation method of chiral Pyrrolopyrimidine compounds | 正大天晴药业集团股份有限公司 | 2017-12-26 | — | — | CN | disclosed |