Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 3/20 | 0.40 |
| ▸ | CDK1 | P06493 | 2/20 | 0.40 |
| ▸ | CDK4 | P11802 | 2/20 | 0.40 |
| ▸ | INSR | P06213 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | FLT4 | P35916 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 6/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31403529 | 0.85 | DGAT1 (0.48) | DGAT1AURKACDK1CDK4INSR | |
| SCHEMBL21641739 | 0.85 | MAPK14 (0.39) | DGAT1AURKACDK1CDK4INSR | |
| SCHEMBL31403695 | 0.79 | KDM2B (0.46) | DGAT1AURKACDK1CDK4INSR | |
| SCHEMBL31403646 | 0.78 | DGAT1 (0.50) | DGAT1AURKACDK4 | |
| SCHEMBL22743595 | 0.78 | AURKA (0.41) | DGAT1AURKACDK1CDK4INSR | |
| SCHEMBL31403618 | 0.76 | HTR1A (0.43) | AURKACDK1CDK4INSRPDGFRB | |
| SCHEMBL30594683 | 0.75 | PRKCI (0.51) | DGAT1GAASMN1; SMN2NOS3NOS1 | |
| SCHEMBL2266494 | 0.75 | PRKCI (0.51) | DGAT1GAASMN1; SMN2NOS3NOS1 | |
| SCHEMBL18379156 | 0.73 | CCR1 (0.40) | DGAT1AURKACDK1CDK4INSR | |
| SCHEMBL3352865 | 0.72 | HTR1D (0.51) | GAASMN1; SMN2NOS3NOS1NOS2 |
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 |