Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | ATP4A | P20648 | 1/20 | 0.31 |
| ▸ | ATP4B | P51164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28870102 | 0.90 | ALDH1A1 (0.42) | ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19 | |
| Ethoxycarbonyl Group SCHEMBL27874210 | 0.89 | THRA (0.42) | ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19 | |
| Formic Acid Methyl Ester SCHEMBL28281257 | 0.86 | CYP1A2 (0.37) | ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL43944 | 0.82 | CYP3A4 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL29443967 | 0.82 | CYP3A4 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19SIGMAR1 | |
| Ethoxycarbonyl Group SCHEMBL27621789 | 0.80 | HTR1A (0.47) | — | |
| Hydrochloric Acid SCHEMBL9834388 | 0.80 | CYP3A4 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19SIGMAR1 | |
| Propylformate SCHEMBL28281240 | 0.79 | CYP1A2 (0.41) | ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5539864 | 0.79 | FDPS (0.36) | ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19 | |
| Ethoxycarbonyl Group SCHEMBL28862081 | 0.79 | CHRM2 (0.51) | CYP1A2CYP2C19SIGMAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109415553-A | The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin | 马萨诸塞大学 | 2019-03-01 | — | — | CN | disclosed |