Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28060783 | 0.98 | TDP1 (0.52) | TDP1L3MBTL1CES2CES1LMNA | |
| SCHEMBL9138934 | 0.81 | TDP1 (0.41) | TDP1L3MBTL1CES2CES1LMNA | |
| SCHEMBL28076207 | 0.79 | ELANE (0.46) | TDP1L3MBTL1CES2CES1LMNA | |
| SCHEMBL30803096 | 0.79 | CES1 (0.56) | TDP1L3MBTL1CES2CES1LMNA | |
| SCHEMBL1088403 | 0.77 | CES2 (0.54) | TDP1L3MBTL1CES2CES1LMNA | |
| SCHEMBL1720153 | 0.77 | AKT1 (0.52) | TDP1L3MBTL1CES2CES1LMNA | |
| SCHEMBL27825042 | 0.77 | CA12 (0.41) | TDP1L3MBTL1CES2CES1LMNA | |
| SCHEMBL29950493 | 0.76 | TDP1 (0.48) | TDP1L3MBTL1CES2CES1LMNA | |
| SCHEMBL5224169 | 0.76 | PGR (0.48) | TDP1L3MBTL1CES2CES1LMNA | |
| SCHEMBL10588662 | 0.76 | TDP1 (0.48) | TDP1L3MBTL1CES2CES1LMNA |
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-105503635-B | A kind of preparation method of the Dicarbonyl derivatives of 2 amido formacyl 1,3 | 苏州大学 | 2017-10-10 | — | — | CN | disclosed |
| CN-105503635-A | Preparation method for 2-amidoformyl-1,3-dicarbonyl derivative | UNIV SOOCHOW | 2016-04-20 | — | — | CN | disclosed |