Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 13/20 | 0.62 |
| ▸ | CACNA1F | O60840 | 11/20 | 0.62 |
| ▸ | CACNA1D | Q01668 | 11/20 | 0.62 |
| ▸ | CACNA1S | Q13698 | 11/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7265309 | 0.89 | CACNA1C (0.51) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL7272283 | 0.84 | ADORA3 (0.57) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL11380790 | 0.84 | CACNA1F (0.87) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL11363662 | 0.83 | CACNA1F (0.67) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL8680780 | 0.83 | ADORA3 (0.67) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL11010524 | 0.82 | CYP1A2 (0.63) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL11363036 | 0.79 | CACNA1C (0.74) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL7265346 | 0.78 | CYP1A2 (0.80) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL11362916 | 0.78 | ADORA3 (0.65) | CACNA1CCACNA1FCACNA1DCACNA1SADORA3 | |
| SCHEMBL11013178 | 0.78 | CACNA1F (0.59) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4248873-A | Nitro-substituted 1,4-dihydropyridines, processes for _their production and their medicinal use | BAYER AKTIENGESELLSCHAFT (DE) | 1981-02-03 | — | — | US | disclosed |