Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 3/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL6728820 | 0.81 | ADRA2A (0.44) | ADRA2AADRA2BADRA2CGAAALDH1A1 | |
| SCHEMBL14918240 | 0.74 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CGAANOS3 | |
| SCHEMBL6369071 | 0.72 | NNMT (0.51) | — | |
| SCHEMBL31220065 | 0.69 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CGAAALDH1A1 | |
| SCHEMBL29526270 | 0.69 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CGAAALDH1A1 | |
| SCHEMBL30666462 | 0.69 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CGAAALDH1A1 | |
| SCHEMBL20178519 | 0.69 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CGAANOS3 | |
| SCHEMBL2666127 | 0.69 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CGAAALDH1A1 | |
| SCHEMBL4937502 | 0.69 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CGAAALDH1A1 | |
| SCHEMBL5120809 | 0.69 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CGAANOS3 |
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-109134363-A | A kind of antimalarial compound and preparation method thereof | 王自然 | 2019-01-04 | — | — | CN | claimed |
| CN-109134363-A | A kind of antimalarial compound and preparation method thereof | 王自然 | 2019-01-04 | — | — | CN | disclosed |