Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29809414 | 0.87 | ACHE (0.59) | ACHEKMT2AMEN1HTTALDH1A1 | |
| SCHEMBL1757848 | 0.87 | ACHE (0.59) | ACHEKMT2AMEN1HTTALDH1A1 | |
| SCHEMBL5183061 | 0.84 | MAPT (0.55) | CNR2ACHEKMT2AMEN1HTT | |
| SCHEMBL28061855 | 0.84 | MAPT (0.62) | ACHEKMT2AMEN1HTTGAA | |
| SCHEMBL31667042 | 0.84 | NLRP3 (0.49) | ACHEKMT2AMEN1HTTPLAU | |
| SCHEMBL28061819 | 0.84 | HDAC3 (0.47) | ACHEKMT2AMEN1HDAC1HDAC2 | |
| SCHEMBL2120980 | 0.82 | MAPK14 (0.48) | ACHEKMT2AMEN1GAAALDH1A1 | |
| SCHEMBL31241086 | 0.82 | PSMB1 (0.48) | ACHEKMT2AMEN1GAAALDH1A1 | |
| SCHEMBL13392342 | 0.82 | PSMB1 (0.48) | ACHEKMT2AMEN1GAAALDH1A1 | |
| SCHEMBL28525032 | 0.81 | KDM4E (0.47) | ACHEKMT2AHTTHDAC8HDAC6 |
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-105503724-B | A kind of preparation method of the polysubstituted compound of isobioquin group of 2 benzyl 1 | 湘潭大学 | 2018-01-30 | — | — | CN | disclosed |
| CN-105503724-A | Preparation method of polysubstituted 2-benzyl-1-isoquinolone compound | UNIV XIANGTAN | 2016-04-20 | — | — | CN | disclosed |