Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | GRM8 | O00222 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 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 | |
|---|---|---|---|---|
| SCHEMBL27755693 | 0.83 | TBXAS1 (0.47) | SMN1; SMN2TBXAS1LMNA | |
| SCHEMBL27755692 | 0.83 | TBXAS1 (0.47) | SMN1; SMN2TBXAS1LMNA | |
| SCHEMBL2886387 | 0.81 | CYP2C19 (0.43) | ALDH1A1LMNAHCAR2 | |
| SCHEMBL28945095 | 0.76 | SMN1; SMN2 (0.49) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10387019 | 0.73 | SMN1; SMN2 (0.46) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28701232 | 0.72 | ACP3 (0.43) | SMN1; SMN2LMNA | |
| SCHEMBL3828726 | 0.71 | CYP2D6 (0.44) | SMN1; SMN2SLC6A3LMNAHCAR2 | |
| SCHEMBL28299971 | 0.71 | CYP17A1 (0.53) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9312689 | 0.71 | CFTR (0.48) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4432372 | 0.71 | SMN1; SMN2 (0.55) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 |
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-114105822-A | Pseudo C2Symmetrical chiral diallyl substituted compound and preparation method and application thereof | 武汉大学 | 2022-03-01 | — | — | CN | disclosed |
| CN-112279770-A | Chiral alpha-polysubstituted-alpha-fluorine-containing homoallylamine compound, and preparation method and application thereof | 武汉大学 | 2021-01-29 | — | — | CN | disclosed |