Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1267124 | 0.86 | ALDH1A1 (0.73) | ALDH1A1KDM4EADRA2CMAPTGAA | |
| SCHEMBL1267159 | 0.80 | KDM4E (1.00) | ALDH1A1KDM4EADRA2CMAPTGAA | |
| SCHEMBL14231592 | 0.79 | ALDH1A1 (0.58) | ALDH1A1KDM4EADRA2CMAPTGAA | |
| SCHEMBL4782055 | 0.77 | ADRA2C (0.72) | ALDH1A1KDM4EADRA2CMAPTGAA | |
| SCHEMBL28305988 | 0.76 | KDM4E (0.73) | ALDH1A1KDM4EADRA2CMAPTGAA | |
| SCHEMBL1267150 | 0.76 | MAPT (0.78) | ALDH1A1KDM4EADRA2CMAPTGAA | |
| SCHEMBL2422849 | 0.76 | ALDH1A1 (0.73) | ALDH1A1KDM4EADRA2CMAPTGAA | |
| Hydrochloric Acid SCHEMBL4784942 | 0.76 | ADRA2C (0.71) | ALDH1A1KDM4EADRA2CMAPTGAA | |
| SCHEMBL3958750 | 0.76 | ALDH1A1 (0.68) | ALDH1A1KDM4EADRA2CMAPTGAA | |
| SCHEMBL1266843 | 0.76 | ALDH1A1 (0.68) | ALDH1A1KDM4EADRA2CMAPTGAA |
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 |