Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCZ | Q05513 | 1/20 | 0.67 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | MELK | Q14680 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | IKBKB | O14920 | 1/20 | 0.47 |
| ▸ | CHUK | O15111 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5779124 | 0.85 | MELK (0.55) | PRKCZCYP2A6MELKIKBKBCHUK | |
| SCHEMBL20031924 | 0.83 | PRKCZ (0.62) | PRKCZCYP2A6MELKCYP19A1TBXAS1 | |
| SCHEMBL29650645 | 0.81 | PRKCZ (0.75) | PRKCZROCK1CYP19A1PIK3CDPIK3CB | |
| SCHEMBL3322974 | 0.81 | PRKCZ (0.75) | PRKCZROCK1CYP19A1PIK3CDPIK3CB | |
| SCHEMBL18713801 | 0.80 | PRKCZ (0.58) | PRKCZMELKCYP19A1TBXAS1PIK3CD | |
| SCHEMBL5007325 | 0.78 | PRKCZ (0.70) | PRKCZCYP19A1PIK3CDPIK3CBPIK3CG | |
| SCHEMBL5801109 | 0.78 | CYP19A1 (0.54) | PRKCZCYP2A6MELKIKBKBCHUK | |
| SCHEMBL31472893 | 0.78 | CYP19A1 (0.54) | PRKCZCYP2A6MELKIKBKBCHUK | |
| SCHEMBL23555378 | 0.77 | PRKCZ (0.68) | PRKCZMELKLCKCYP19A1PIK3CD | |
| SCHEMBL8338092 | 0.77 | PRKCZ (0.68) | PRKCZMELKLCKCYP19A1PIK3CD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105541713-B | Isoquinoline compound and synthetic method thereof | 湖南科技大学 | 2018-04-06 | — | — | CN | disclosed |
| CN-105541713-A | Isoquinoline compound and synthetic method thereof | UNIV HUNAN SCI & TECHNOLOGY | 2016-05-04 | — | — | CN | disclosed |
| CN-105503722-A | Method for synthesizing isoquinoline compound | UNIV HUNAN SCI & TECHNOLOGY | 2016-04-20 | — | — | CN | disclosed |