Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28831833 | 0.92 | GPR52 (0.40) | ADRA1DGPR52MAPK8TDP1HDAC3 | |
| Benzene SCHEMBL28080834 | 0.86 | CNR2 (0.43) | — | |
| SCHEMBL28080836 | 0.84 | F2RL3 (0.39) | ADRA1DGPR52MAPK8 | |
| SCHEMBL28080837 | 0.81 | TEAD3 (0.40) | HDAC3HDAC4HDAC1SMN1; SMN2HDAC7 | |
| SCHEMBL28080903 | 0.77 | ALDH1A1 (0.43) | ADRA1DSMN1; SMN2 | |
| SCHEMBL28080894 | 0.76 | ALDH1A1 (0.47) | ADRA1DTDP1L3MBTL1SMN1; SMN2SIGMAR1 | |
| SCHEMBL28080900 | 0.74 | LMNA (0.39) | TDP1HDAC3HDAC4HDAC1SMN1; SMN2 | |
| SCHEMBL28080891 | 0.73 | ALDH1A1 (0.44) | ADRA1DL3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL28080843 | 0.73 | CYP11B1 (0.44) | HDAC8HDAC6MAPT | |
| SCHEMBL28080828 | 0.73 | CCR2 (0.46) | SIGMAR1 |
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-103804108-B | A kind of method preparing primary amine | 沈阳药科大学 | 2016-08-03 | — | — | CN | disclosed |