Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 6/20 | 0.41 |
| ▸ | NOS1 | P29475 | 6/20 | 0.41 |
| ▸ | NOS2 | P35228 | 4/20 | 0.41 |
| ▸ | WEE1 | P30291 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTR1F | P30939 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 3/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | INSR | P06213 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22743115 | 0.86 | WEE1 (0.40) | NOS3NOS1NOS2WEE1HTR6 | |
| SCHEMBL21671687 | 0.86 | HTR1A (0.36) | NOS3NOS1NOS2HTR6HTR1A | |
| SCHEMBL21641744 | 0.82 | PRKCI (0.46) | NOS3NOS1NOS2WEE1HTR6 | |
| SCHEMBL30271237 | 0.82 | PRKCI (0.46) | NOS3NOS1NOS2WEE1HTR6 | |
| SCHEMBL22743615 | 0.79 | HTR1A (0.40) | NOS3NOS1NOS2WEE1HTR6 | |
| SCHEMBL21671902 | 0.76 | DRD2 (0.64) | NOS3NOS1NOS2HTR1AHTR1D | |
| SCHEMBL21671819 | 0.76 | KDM4C (0.41) | NOS3NOS1NOS2HTR6HTR1A | |
| SCHEMBL22743616 | 0.75 | HTR1A (0.34) | NOS3NOS1NOS2WEE1HTR1A | |
| SCHEMBL30641108 | 0.74 | DRD2 (0.55) | NOS3NOS1HTR6DRD2SLC6A4 | |
| SCHEMBL3355266 | 0.74 | NOS3 (0.45) | NOS3NOS1NOS2HTR6HTR1A |
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-3604306-A1 | MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai de Novo Pharmatech Co., Ltd. (CN) | 2020-02-05 | — | — | EP | disclosed |