Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.39 |
| ▸ | CES1 | P23141 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PRMT1 | Q99873 | 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 | |
|---|---|---|---|---|
| SCHEMBL29117706 | 0.78 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2MAPTNPC1MAPK1 | |
| SCHEMBL27395930 | 0.78 | ALDH1A1 (0.40) | CES2CES1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL28958208 | 0.76 | ELANE (0.45) | CES2CES1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL4347897 | 0.75 | MAPT (0.43) | ALDH1A1SMN1; SMN2MAPTTP53LMNA | |
| SCHEMBL3039302 | 0.75 | AKR1C1 (0.53) | CES2CES1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL348321 | 0.75 | AKR1C1 (0.53) | CES2CES1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL3039305 | 0.75 | AKR1C1 (0.53) | CES2CES1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL28021298 | 0.74 | ALDH1A1 (0.45) | CES2CES1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL4084974 | 0.73 | CES2 (0.53) | CES2CES1ALDH1A1MAPTLMNA | |
| SCHEMBL14764079 | 0.73 | CES1 (0.48) | CES2CES1CYP1A2CYP2C19ALDH1A1 |
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-101544669-B | Phenyl cyanoacrylate derivatives containing alpha-amino phosphonate ester and preparation method and application thereof | UNIV GUIZHOU | 2011-09-07 | — | — | CN | disclosed |
| CN-101544669-A | Phenyl cyanoacrylate derivatives containing alpha-amino phosphonate ester and preparation method and application thereof | UNIV GUIZHOU | 2009-09-30 | — | — | CN | disclosed |