Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1D | Q01668 | 6/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.68 |
| ▸ | CACNA1C | Q13936 | 5/20 | 0.68 |
| ▸ | CACNA1F | O60840 | 4/20 | 0.68 |
| ▸ | CACNA1S | Q13698 | 4/20 | 0.68 |
| ▸ | LMNA | P02545 | 3/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.68 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.68 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.68 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.68 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.68 |
| ▸ | SCN1A | P35498 | 2/20 | 0.68 |
| ▸ | HTR2B | P41595 | 2/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.68 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.68 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.68 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.68 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.68 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL9765703 | 0.93 | CACNA1C (0.79) | CACNA1DADORA3CACNA1CCACNA1FCACNA1S | |
| SCHEMBL29810716 | 0.87 | CACNA1C (0.77) | CACNA1DADORA3CACNA1CCACNA1FCACNA1S | |
| SCHEMBL1617472 | 0.87 | CACNA1C (0.77) | CACNA1DADORA3CACNA1CCACNA1FCACNA1S | |
| SCHEMBL9765770 | 0.86 | CACNA1C (0.86) | CACNA1DADORA3CACNA1CCACNA1FCACNA1S | |
| SCHEMBL7266381 | 0.85 | CACNA1B (0.74) | CACNA1DADORA3CACNA1CCACNA1FCACNA1S | |
| SCHEMBL5085498 | 0.85 | ADORA3 (0.86) | CACNA1DADORA3CACNA1CCACNA1FCACNA1S | |
| SCHEMBL7412221 | 0.85 | CACNA1B (0.74) | CACNA1DADORA3CACNA1CCACNA1FCACNA1S | |
| SCHEMBL10823943 | 0.84 | CACNA1C (0.70) | CACNA1DADORA3CACNA1CCACNA1FCACNA1S | |
| SCHEMBL8091424 | 0.82 | CACNA1C (0.70) | CACNA1DADORA3CACNA1CCACNA1FCACNA1S | |
| SCHEMBL4608536 | 0.82 | CACNA1D (0.92) | CACNA1DADORA3CACNA1CCACNA1FCACNA1S |
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 |