Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | DHPS | P49366 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21025559 | 0.82 | GRM2 (0.40) | METAP2ROCK2ROCK1BRD4MEN1 | |
| SCHEMBL21025538 | 0.81 | GRM2 (0.40) | METAP2MEN1KMT2A | |
| SCHEMBL15627017 | 0.80 | APP (0.50) | BRD4EPHX2NR1H4HDAC3HDAC4 | |
| SCHEMBL29283808 | 0.80 | HSP90AB1 (0.50) | ACHEHSP90AB1ROCK2ROCK1BRD4 | |
| SCHEMBL31006545 | 0.80 | HSP90AB1 (0.50) | ACHEHSP90AB1ROCK2ROCK1BRD4 | |
| SCHEMBL2120980 | 0.79 | MAPK14 (0.48) | ACHEHSP90AB1MAPK14ROCK2ROCK1 | |
| SCHEMBL31006516 | 0.79 | HSP90AB1 (0.57) | ACHEHSP90AB1MAPK14ROCK2ROCK1 | |
| SCHEMBL29283795 | 0.79 | HSP90AB1 (0.57) | ACHEHSP90AB1MAPK14ROCK2ROCK1 | |
| SCHEMBL8543010 | 0.78 | MAPT (0.58) | ROCK2ROCK1MEN1KMT2A | |
| SCHEMBL1757848 | 0.78 | ACHE (0.59) | METAP2ACHEMAPK14EGLN1DHPS |
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-105503724-A | Preparation method of polysubstituted 2-benzyl-1-isoquinolone compound | UNIV XIANGTAN | 2016-04-20 | — | — | CN | disclosed |