Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | BRAF | P15056 | 2/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28651560 | 0.88 | HTR7 (0.47) | ALDH1A1HTR7GAACES2CES1 | |
| SCHEMBL28623785 | 0.87 | CES2 (0.57) | BRAFHTR7GAAPOLBCES2 | |
| SCHEMBL26665153 | 0.87 | CES2 (0.57) | ALDH1A1HTTBRAFKDM4EPOLB | |
| SCHEMBL3145933 | 0.79 | TRPA1 (0.51) | HTR7GAAKDM4ETRPA1MEN1 | |
| SCHEMBL3145944 | 0.79 | TRPA1 (0.51) | HTR7GAAKDM4ETRPA1MEN1 | |
| SCHEMBL28653272 | 0.76 | HTR7 (0.48) | ALDH1A1HTTBRAFHTR7GAA | |
| SCHEMBL10497754 | 0.75 | CES2 (0.67) | CES2CES1LMNAMAPT | |
| SCHEMBL6367461 | 0.75 | ALOX5 (0.54) | ALDH1A1HTTHTR7TRPA1PTGS1 | |
| SCHEMBL26665155 | 0.75 | CES2 (0.55) | POLBCES2CES1MEN1LMNA | |
| SCHEMBL28008831 | 0.74 | CES2 (0.70) | HTR7GAACES2CES1 |
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-113457736-A | Application of chitosan/cellulose composite microsphere immobilized copper in catalyzing silicon addition reaction of alpha, beta-unsaturated carbonyl compound | 湖北工程学院 | 2021-10-01 | — | — | CN | disclosed |