Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | CD38 | P28907 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LSS | P48449 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3436793 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL4349290 | 0.91 | PIK3CD (0.37) | PIK3CDCYP2D6HRH1KCNH2PDE7A | |
| SCHEMBL3436790 | 0.86 | PIK3CD (0.37) | PIK3CDCYP2D6HRH1KCNH2PDE7A | |
| SCHEMBL16133619 | 0.85 | CYP2D6 (0.33) | PIK3CDCYP2D6HRH1KCNH2PDE7A | |
| SCHEMBL15700575 | 0.85 | CYP2D6 (0.33) | PIK3CDCYP2D6HRH1KCNH2PDE7A | |
| SCHEMBL20160904 | 0.85 | KDM4E (0.37) | PIK3CDCYP2D6HRH1KCNH2PDE7A | |
| SCHEMBL16136287 | 0.85 | CYP2D6 (0.33) | PIK3CDCYP2D6HRH1KCNH2PDE7A | |
| SCHEMBL18878200 | 0.84 | ACHE (0.37) | PIK3CDCYP2D6HRH1KCNH2PDE7A | |
| SCHEMBL24151198 | 0.83 | CYP2D6 (0.33) | PIK3CDCYP2D6HRH1KCNH2PDE7A | |
| SCHEMBL21084858 | 0.83 | CYP2D6 (0.33) | PIK3CDCYP2D6HRH1KCNH2PDE7A |
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 |