Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1F | O60840 | 11/20 | 0.53 |
| ▸ | CACNA1D | Q01668 | 11/20 | 0.53 |
| ▸ | CACNA1S | Q13698 | 11/20 | 0.53 |
| ▸ | CACNA1C | Q13936 | 11/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | PYGM | P11217 | 3/20 | 0.50 |
| ▸ | PYGL | P06737 | 2/20 | 0.50 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10900930 | 1.00 | CACNA1F (0.53) | CACNA1FCACNA1DCACNA1SCACNA1CCYP1A2 | |
| SCHEMBL10900920 | 1.00 | CACNA1F (0.53) | CACNA1FCACNA1DCACNA1SCACNA1CCYP1A2 | |
| SCHEMBL10901934 | 1.00 | CACNA1F (0.53) | CACNA1FCACNA1DCACNA1SCACNA1CCYP1A2 | |
| SCHEMBL29926641 | 0.87 | CYP1A2 (0.64) | CACNA1FCACNA1DCACNA1SCACNA1CCYP1A2 | |
| SCHEMBL7400360 | 0.87 | CYP1A2 (0.64) | CACNA1FCACNA1DCACNA1SCACNA1CCYP1A2 | |
| SCHEMBL7448031 | 0.87 | CYP1A2 (0.64) | CACNA1FCACNA1DCACNA1SCACNA1CCYP1A2 | |
| SCHEMBL11688678 | 0.83 | CYP1A2 (0.55) | CACNA1FCACNA1DCACNA1SCACNA1CCYP1A2 | |
| SCHEMBL11688660 | 0.83 | CYP1A2 (0.55) | CACNA1FCACNA1DCACNA1SCACNA1CCYP1A2 | |
| SCHEMBL10899578 | 0.83 | CACNA1F (0.64) | CACNA1FCACNA1DCACNA1SCACNA1CCYP1A2 | |
| SCHEMBL10899571 | 0.83 | CACNA1F (0.64) | CACNA1FCACNA1DCACNA1SCACNA1CCYP1A2 |
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-4622332-A | Asymmetric diesters of Hantzsch dihydropyridines with hypotensive activity | BAYER AKTIENGESELLSCHAFT (DE) | 1986-11-11 | — | — | US | disclosed |