Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.68 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3953566 | 0.92 | ADRA2C (0.64) | ALDH1A1KDM4EMAPTGAAADRA2C | |
| SCHEMBL3958750 | 0.85 | ALDH1A1 (0.68) | ALDH1A1KDM4EMAPTGAAADRA2C | |
| SCHEMBL4401556 | 0.85 | ALDH1A1 (0.62) | ALDH1A1KDM4EMAPTGAAADRA2C | |
| SCHEMBL1267150 | 0.83 | MAPT (0.78) | ALDH1A1KDM4EMAPTGAAADRA2C | |
| SCHEMBL1267159 | 0.81 | KDM4E (1.00) | ALDH1A1KDM4EMAPTGAAADRA2C | |
| SCHEMBL1267091 | 0.80 | KDM4E (0.73) | ALDH1A1KDM4EMAPTGAAADRA2C | |
| SCHEMBL1267124 | 0.80 | ALDH1A1 (0.73) | ALDH1A1KDM4EMAPTGAAADRA2C | |
| SCHEMBL28305988 | 0.80 | KDM4E (0.73) | ALDH1A1KDM4EMAPTGAAADRA2C | |
| SCHEMBL28795814 | 0.80 | ALDH1A1 (0.73) | ALDH1A1KDM4EMAPTGAAADRA2C | |
| SCHEMBL2422849 | 0.80 | ALDH1A1 (0.73) | ALDH1A1KDM4EMAPTGAAADRA2C |
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-109956946-A | A kind of method of the asymmetric hydrogenation synthesis of chiral amine of iridium catalysis pyrrolin/indoles [1,2-a] and pyrazine | 中国科学院大连化学物理研究所 | 2019-07-02 | — | — | CN | disclosed |