Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 11/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.46 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.46 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7318265 | 0.89 | CACNA1B (0.51) | CACNA1BADORA3ABCC1CACNA1FCACNA1D | |
| SCHEMBL7322259 | 0.88 | CACNA1B (0.53) | CACNA1BADORA3ABCC1CACNA1FCACNA1D | |
| SCHEMBL9501260 | 0.86 | ADORA3 (0.57) | CACNA1BADORA3ABCC1CACNA1FCACNA1D | |
| SCHEMBL7316147 | 0.85 | ADORA3 (0.53) | CACNA1BADORA3CACNA1FCACNA1DCACNA1S | |
| SCHEMBL7419122 | 0.83 | ADORA3 (0.53) | CACNA1BADORA3ABCC1CACNA1FCACNA1D | |
| SCHEMBL7266098 | 0.82 | CACNA1B (0.51) | CACNA1BADORA3CACNA1FCACNA1DCACNA1S | |
| SCHEMBL9808332 | 0.81 | ABCC1 (0.48) | CACNA1BADORA3ABCC1CACNA1FCACNA1D | |
| SCHEMBL7471880 | 0.80 | ADORA3 (0.51) | CACNA1BADORA3ABCC1CACNA1FCACNA1D | |
| SCHEMBL9513394 | 0.80 | ABCC1 (0.58) | CACNA1BADORA3ABCC1CACNA1FCACNA1D | |
| SCHEMBL11522715 | 0.80 | ABCC1 (0.58) | CACNA1BADORA3ABCC1CACNA1FCACNA1D |
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 |
|---|---|---|---|---|---|---|---|
| EP-0271059-B1 | 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-10-20 | — | — | EP | claimed |
| EP-0271059-A1 | 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1988-06-15 | — | — | EP | claimed |