Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.53 |
| ▸ | CACNA1B | Q00975 | 8/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | THPO | P40225 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.48 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.45 |
| ▸ | CACNA1D | Q01668 | 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 | |
|---|---|---|---|---|
| SCHEMBL7322259 | 0.97 | CACNA1B (0.53) | ADORA3CACNA1BHIF1ACYP2C9MEN1 | |
| SCHEMBL7266098 | 0.89 | CACNA1B (0.51) | ADORA3CACNA1BHIF1ACYP2C9MEN1 | |
| SCHEMBL9501260 | 0.88 | ADORA3 (0.57) | ADORA3CACNA1BHIF1ACYP2C9MEN1 | |
| SCHEMBL7350638 | 0.86 | NPC1 (0.44) | CACNA1BMEN1CYP3A4KMT2AMAPK1 | |
| SCHEMBL7350256 | 0.85 | CACNA1B (0.57) | ADORA3CACNA1BHIF1ACYP2C9MEN1 | |
| SCHEMBL7318265 | 0.85 | CACNA1B (0.51) | ADORA3CACNA1BHIF1ACYP2C9MEN1 | |
| SCHEMBL7419122 | 0.84 | ADORA3 (0.53) | ADORA3CACNA1BHIF1ACYP2C9MEN1 | |
| SCHEMBL7471880 | 0.82 | ADORA3 (0.51) | ADORA3CACNA1BHIF1ACYP2C9MEN1 | |
| SCHEMBL9669318 | 0.81 | ADORA3 (0.50) | ADORA3CACNA1BHIF1ACYP2C9MEN1 | |
| SCHEMBL7323492 | 0.81 | HIF1A (0.66) | ADORA3HIF1ACYP2C9MEN1CYP1A2 |
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 |