Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | GOPC | Q9HD26 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11317586 | 0.83 | TBXAS1 (0.41) | CYP17A1CYP19A1TBXAS1SMN1; SMN2ALDH1A1 | |
| SCHEMBL27278319 | 0.83 | TBXAS1 (0.42) | CYP17A1CYP19A1TBXAS1SMN1; SMN2ALDH1A1 | |
| SCHEMBL13533757 | 0.81 | CYP19A1 (0.49) | CYP17A1CYP19A1HCAR2SMN1; SMN2ALDH1A1 | |
| SCHEMBL27558665 | 0.81 | CYP17A1 (0.58) | CYP17A1CYP19A1TBXAS1SMN1; SMN2ALDH1A1 | |
| SCHEMBL41557 | 0.80 | HCAR2 (0.67) | HCAR2ALDH1A1 | |
| SCHEMBL28863896 | 0.80 | HCAR2 (0.67) | HCAR2ALDH1A1 | |
| SCHEMBL13065872 | 0.80 | CYP17A1 (0.57) | CYP17A1CYP19A1TBXAS1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6536970 | 0.78 | HCAR2 (0.53) | CYP17A1CYP19A1HCAR2SMN1; SMN2ALDH1A1 | |
| SCHEMBL28077544 | 0.76 | HCAR2 (0.61) | HCAR2ALDH1A1 | |
| Maleic Acid SCHEMBL27844223 | 0.75 | HCAR2 (0.79) | HCAR2ALDH1A1POLBKDM4E |
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-109879834-A | A kind of 3- amino -2- cyanoacrylate compound and its application | 江苏省农药研究所股份有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-109776453-A | A kind of preparation method of 3- amino -2- cyanoacrylate compound | 江苏省农药研究所股份有限公司 | 2019-05-21 | — | — | CN | disclosed |