Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.34 |
| ▸ | KRAS | P01116 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 3/20 | 0.33 |
| ▸ | ITK | Q08881 | 2/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5338247 | 1.00 | KCNH2 (0.37) | KCNH2SLC6A2SLC6A4LRRK2HTR7 | |
| SCHEMBL30648400 | 0.87 | HTR7 (0.39) | KCNH2SLC6A2SLC6A4HTR7 | |
| SCHEMBL15921789 | 0.87 | HTR7 (0.39) | KCNH2SLC6A2SLC6A4HTR7 | |
| SCHEMBL31546857 | 0.81 | SLC6A2 (0.43) | KCNH2SLC6A2SLC6A4HTR7 | |
| SCHEMBL19437904 | 0.81 | SLC6A2 (0.43) | KCNH2SLC6A2SLC6A4HTR7 | |
| SCHEMBL5343908 | 0.81 | MCHR1 (0.41) | KCNH2SLC6A2SLC6A4LRRK2GRM4 | |
| SCHEMBL15086913 | 0.81 | LRRK2 (0.41) | LRRK2KRASSOS1GRM5 | |
| SCHEMBL23967036 | 0.81 | LRRK2 (0.39) | KCNH2SLC6A2SLC6A4LRRK2GRM4 | |
| SCHEMBL20891223 | 0.81 | SOS1 (0.39) | LRRK2KRASSOS1GRM5 | |
| SCHEMBL29953489 | 0.79 | FFAR2 (0.35) | KCNH2LRRK2GRM4KRASSOS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3572413-B1 | 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE1 INHIBITOR | SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) | 2021-11-03 | — | — | EP | disclosed |