Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.45 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.45 |
| ▸ | P4HB | P07237 | 6/20 | 0.42 |
| ▸ | FBP1 | P09467 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10990929 | 0.82 | PDCD1 (0.48) | PDCD1CD274P4HBFBP1 | |
| SCHEMBL11559203 | 0.70 | ALDH1A1 (0.48) | FBP1GAAMAPK1ALDH1A1MAPT | |
| SCHEMBL28372992 | 0.70 | AKR1C3 (0.59) | PDCD1CD274P4HBFBP1 | |
| SCHEMBL6981746 | 0.70 | AKR1C3 (0.59) | PDCD1CD274P4HBFBP1 | |
| Balazipone SCHEMBL636109 | 0.70 | PDCD1 (0.55) | PDCD1CD274P4HBFBP1GAA | |
| SCHEMBL3115027 | 0.70 | AKR1C3 (0.59) | PDCD1CD274P4HBFBP1 | |
| SCHEMBL5970511 | 0.70 | PDCD1 (0.53) | PDCD1CD274P4HBFBP1MAPK1 | |
| SCHEMBL9475839 | 0.69 | PDCD1 (0.51) | PDCD1CD274P4HBFBP1 | |
| SCHEMBL9475845 | 0.69 | PDCD1 (0.51) | PDCD1CD274P4HBFBP1 | |
| SCHEMBL5970509 | 0.69 | PDCD1 (0.54) | PDCD1CD274P4HBFBP1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4551467-A | Vasodilating cyanoalkyl esters of 1,4-dihydropyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1985-11-05 | — | — | US | disclosed |
| US-4162321-A | Sulphur-containing amino-dihydropyridines, and their use as medicants | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-24 | — | — | US | disclosed |