Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15114309 | 0.85 | CYP2D6 (0.30) | CYP2D6 | |
| SCHEMBL24316184 | 0.85 | PIK3CD (0.35) | PIK3CD | |
| SCHEMBL13227039 | 0.81 | ALOX5 (0.33) | — | |
| SCHEMBL13844016 | 0.79 | CYP1A2 (0.37) | — | |
| SCHEMBL27010015 | 0.79 | CNR2 (0.32) | PIK3CD | |
| SCHEMBL24316180 | 0.78 | CNR2 (0.31) | PIK3CD | |
| SCHEMBL24818091 | 0.76 | — | — | |
| SCHEMBL13397354 | 0.76 | GNAO1 (0.33) | CYP2D6 | |
| SCHEMBL9942878 | 0.75 | PIK3CD (0.44) | PIK3CDCYP2D6KDM4E | |
| SCHEMBL13397448 | 0.74 | NCF1 (0.42) | CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086589-A1 | 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES | 上海海雁医药科技有限公司 | 2018-05-17 | — | — | WO | disclosed |