Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 4/20 | 0.64 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.64 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.64 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10824847 | 0.91 | CACNA1C (0.75) | CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2 | |
| SCHEMBL10823958 | 0.86 | CACNA1C (0.69) | CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2 | |
| SCHEMBL9765757 | 0.85 | CACNA1C (0.69) | CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL10823907 | 0.85 | CACNA1C (0.59) | CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2 | |
| SCHEMBL7272013 | 0.82 | MAPT (0.79) | CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2 | |
| SCHEMBL11012182 | 0.82 | CACNA1C (0.65) | CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2 | |
| SCHEMBL10824016 | 0.82 | CACNA1C (0.64) | CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2 | |
| SCHEMBL9765688 | 0.81 | CACNA1C (0.74) | CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2 | |
| SCHEMBL11111510 | 0.81 | CACNA1F (0.63) | CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2 | |
| SCHEMBL11690305 | 0.80 | CACNA1C (0.61) | CACNA1CCACNA1FCACNA1DCACNA1S |
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-4565824-A | Certain nitratoalkyl ester dihydropyridines having antihypertensive properties | BAYER AKTIENGESELLSCHAFT (DE) | 1986-01-21 | — | — | US | disclosed |