Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.48 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.48 |
| ▸ | P4HB | P07237 | 12/20 | 0.47 |
| ▸ | FBP1 | P09467 | 3/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10984178 | 0.82 | PDCD1 (0.45) | PDCD1CD274P4HBFBP1 | |
| Balazipone SCHEMBL636109 | 0.73 | PDCD1 (0.55) | PDCD1CD274P4HBFBP1MAOA | |
| SCHEMBL17444737 | 0.72 | TDP1 (0.64) | PDCD1CD274P4HBFBP1CNR1 | |
| SCHEMBL8028834 | 0.71 | PDCD1 (0.59) | PDCD1CD274P4HBFBP1 | |
| SCHEMBL10896764 | 0.71 | GLO1 (0.61) | FBP1 | |
| SCHEMBL10896757 | 0.71 | GLO1 (0.61) | FBP1 | |
| SCHEMBL3115027 | 0.70 | AKR1C3 (0.59) | PDCD1CD274P4HBFBP1MAOA | |
| SCHEMBL6981746 | 0.70 | AKR1C3 (0.59) | PDCD1CD274P4HBFBP1MAOA | |
| SCHEMBL28372992 | 0.70 | AKR1C3 (0.59) | PDCD1CD274P4HBFBP1MAOA | |
| SCHEMBL9475845 | 0.70 | PDCD1 (0.51) | PDCD1CD274P4HBFBP1MAOA |
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 3 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-4179500-A | 1,4-Dihydropyridine-sugar derivatives, and their use as medicaments | BAYER AKTIENGESELLSCHAFT (DE) | 1979-12-18 | — | — | US | disclosed |
| US-4162321-A | Sulphur-containing amino-dihydropyridines, and their use as medicants | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-24 | — | — | US | disclosed |