Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.64 |
| ▸ | CACNA1C | Q13936 | 5/20 | 0.64 |
| ▸ | CACNA1F | O60840 | 4/20 | 0.64 |
| ▸ | CACNA1D | Q01668 | 4/20 | 0.64 |
| ▸ | CACNA1S | Q13698 | 4/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.64 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.62 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.61 |
| ▸ | PGR | P06401 | 1/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.61 |
| ▸ | HTR1A | P08908 | 1/20 | 0.61 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.61 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.61 |
| ▸ | DRD1 | P21728 | 1/20 | 0.61 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.61 |
| ▸ | DRD3 | P35462 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL10746880 | 0.99 | ABCB1 (0.63) | ABCB1CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL9765699 | 0.92 | ABCB1 (0.71) | ABCB1CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL11012196 | 0.90 | CACNA1C (0.61) | ABCB1CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL11063168 | 0.89 | CACNA1F (0.79) | ABCB1CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL10750936 | 0.88 | CACNA1F (0.69) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL10748113 | 0.87 | CACNA1F (0.68) | ABCB1CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL10823915 | 0.87 | CACNA1F (0.68) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL8301434 | 0.87 | CACNA1C (0.57) | ABCB1CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL9765707 | 0.86 | CACNA1C (0.64) | ABCB1CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL10823995 | 0.86 | CACNA1C (0.69) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 |
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 |