Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | PDE5A | O76074 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | PRKACG | P22612 | 1/20 | 0.39 |
| ▸ | PRKACB | P22694 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 1/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9565316 | 0.81 | CYP2A6 (0.43) | MAPK1HSP90AA1HSP90AB1PTK2ABL1 | |
| SCHEMBL7333646 | 0.80 | MAPK1 (0.43) | MAPK1HSP90AA1HSP90AB1PTK2ATR | |
| SCHEMBL7430157 | 0.79 | MAPK1 (0.42) | MAPK1HSP90AA1HSP90AB1PTK2ATR | |
| SCHEMBL7437851 | 0.79 | CYP11B1 (0.45) | MAPK1ABL1EGFRPRKCAPRKCD | |
| SCHEMBL9565372 | 0.78 | MAPK1 (0.49) | MAPK1HSP90AA1HSP90AB1PTK2ABL1 | |
| SCHEMBL9565345 | 0.76 | MAPK1 (0.40) | MAPK1HSP90AA1HSP90AB1PTK2ATR | |
| SCHEMBL9565313 | 0.72 | PDGFRB (0.46) | MAPK1PDE5AVCPCYP3A4CYP2A6 | |
| SCHEMBL7434057 | 0.71 | MAPK1 (0.45) | MAPK1HSP90AA1HSP90AB1PTK2ABL1 | |
| SCHEMBL7430001 | 0.70 | MAPK1 (0.41) | MAPK1HSP90AA1HSP90AB1PTK2ATR | |
| SCHEMBL9315752 | 0.70 | MAPK1 (0.41) | MAPK1HSP90AA1HSP90AB1PTK2ATR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0543245-A1 | Renin inhibiting amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1993-05-26 | — | — | EP | disclosed |
| CN-1072413-A | Amino acid derivative | HOFFMANN LA ROCHE (CH) | 1993-05-26 | — | — | CN | disclosed |