Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 3/20 | 0.51 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.44 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.44 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9765795 | 0.89 | PDE1C (0.49) | PDE1CADORA3KDM4EMAPTTSHR | |
| SCHEMBL11742268 | 0.89 | ADORA3 (0.55) | PDE1CADORA3KDM4EMAPTTSHR | |
| SCHEMBL11829322 | 0.89 | NR3C2 (0.54) | NR3C2ADORA3KDM4EMAPTTSHR | |
| SCHEMBL6947811 | 0.87 | CYP1A2 (0.56) | NR3C2ADORA3KDM4EMAPTTSHR | |
| SCHEMBL11823990 | 0.86 | KDM4E (0.54) | NR3C2KDM4EMAPTTSHRALDH1A1 | |
| SCHEMBL7163495 | 0.85 | CACNA1C (0.58) | NR3C2PDE1CADORA3KDM4EMAPT | |
| SCHEMBL11695185 | 0.84 | NR3C2 (0.48) | NR3C2ADORA3KDM4EMAPTTSHR | |
| SCHEMBL11366059 | 0.82 | NR3C2 (0.39) | NR3C2GPBAR1PDE1CADORA3KDM4E | |
| SCHEMBL7158453 | 0.81 | ADORA3 (0.55) | ADORA3KDM4EMAPTTSHRALDH1A1 | |
| SCHEMBL11503470 | 0.80 | ADORA3 (0.62) | NR3C2PDE1CADORA3KDM4EMAPT |
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-4988717-A | Optically active 1,4-dihydropyridine esters useful for treating circulatory illnesses | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-29 | — | — | US | disclosed |
| US-4849433-A | The compound, (⃡)1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-pyridine-3,5-dicarboxylic acid, methyl isobutyl ester, compositions containing same and a method for effecting coronary dilation | BAYER AKTIENGESELLSCHAFT (DE) | 1989-07-18 | — | — | US | disclosed |
| US-4510310-A | 1,4-Dihydro-2,6-dimethyl-4-(2'-chlorophenyl)-3,5-dicarboxylic acid,methyl or ethyl,trifluoroethyl ester | BAYER AKTIENGESELLSCHAFT (DE) | 1985-04-09 | — | — | US | disclosed |