Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL14344781 | 1.00 | KDM4E (0.35) | KDM4ESPHK1DRD2DRD4DRD3 | |
| SCHEMBL20160575 | 1.00 | KDM4E (0.35) | KDM4ESPHK1DRD2DRD4DRD3 | |
| SCHEMBL1678939 | 0.91 | — | — | |
| SCHEMBL4756581 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL5395481 | 0.88 | — | — | |
| SCHEMBL4757265 | 0.82 | — | — | |
| SCHEMBL5050535 | 0.82 | — | — | |
| SCHEMBL18687354 | 0.81 | KDM4E (0.34) | KDM4EDRD2DRD4DRD3SLC6A4 | |
| SCHEMBL13744789 | 0.81 | KDM4E (0.34) | KDM4EDRD2DRD4DRD3SLC6A4 | |
| SCHEMBL13475074 | 0.81 | KDM4E (0.34) | KDM4EDRD2DRD4DRD3SLC6A4 |
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 |