Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.67 |
| ▸ | CACNA1C | Q13936 | 11/20 | 0.55 |
| ▸ | CACNA1D | Q01668 | 11/20 | 0.55 |
| ▸ | CACNA1F | O60840 | 10/20 | 0.55 |
| ▸ | CACNA1S | Q13698 | 10/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9808344 | 0.88 | CACNA1F (0.74) | ADORA3CACNA1CCACNA1DCACNA1FCACNA1S | |
| SCHEMBL10816971 | 0.87 | ADORA3 (0.75) | ADORA3CACNA1CCACNA1DCACNA1FCACNA1S | |
| SCHEMBL7464524 | 0.86 | ADORA3 (0.67) | ADORA3CACNA1CCACNA1DCACNA1FCACNA1S | |
| SCHEMBL11520718 | 0.85 | ADORA3 (0.75) | ADORA3CACNA1CCACNA1DCACNA1FCACNA1S | |
| SCHEMBL3027749 | 0.84 | ADORA3 (0.90) | ADORA3CACNA1CCACNA1DCACNA1FCACNA1S | |
| SCHEMBL7237214 | 0.82 | ADORA3 (0.82) | ADORA3CACNA1CCACNA1DCACNA1FCACNA1S | |
| SCHEMBL7531635 | 0.82 | ADORA3 (0.62) | ADORA3CACNA1CCACNA1DCACNA1FCACNA1S | |
| SCHEMBL7467445 | 0.82 | CACNA1C (0.60) | ADORA3CACNA1CCACNA1DCACNA1FCACNA1S | |
| SCHEMBL7529161 | 0.82 | ADORA3 (0.61) | ADORA3CACNA1CCACNA1DCACNA1FCACNA1S | |
| SCHEMBL7159073 | 0.80 | ADORA3 (1.00) | ADORA3CACNA1CCACNA1DCACNA1FCACNA1S |
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-0233228-A1 | PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1987-08-26 | — | — | EP | disclosed |
| WO-1987000836-A1 | PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1987-02-12 | — | — | WO | disclosed |