Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1I | Q9P0X4 | 5/20 | 0.67 |
| ▸ | CACNA1H | O95180 | 4/20 | 0.67 |
| ▸ | CNR2 | P34972 | 4/20 | 0.67 |
| ▸ | CACNA1G | O43497 | 3/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1066005 | 0.87 | CACNA1I (0.67) | CACNA1ICACNA1HCNR2CACNA1GKCNH2 | |
| SCHEMBL1064504 | 0.86 | CACNA1I (0.65) | CACNA1ICACNA1HCNR2CACNA1GKCNH2 | |
| SCHEMBL1062854 | 0.85 | CACNA1I (0.75) | CACNA1ICACNA1HCNR2CACNA1GKCNH2 | |
| SCHEMBL1063192 | 0.83 | CACNA1I (0.78) | CACNA1ICACNA1HCNR2CACNA1GKCNH2 | |
| SCHEMBL1063221 | 0.82 | CACNA1I (0.73) | CACNA1ICACNA1HCNR2CACNA1GKCNH2 | |
| SCHEMBL4501672 | 0.82 | CACNA1I (0.73) | CACNA1ICACNA1HCNR2CACNA1GKCNH2 | |
| SCHEMBL1061452 | 0.82 | CACNA1I (0.73) | CACNA1ICACNA1HCNR2CACNA1GKCNH2 | |
| SCHEMBL3030405 | 0.82 | CACNA1H (0.60) | CACNA1ICACNA1HCNR2CACNA1GKCNH2 | |
| SCHEMBL3042543 | 0.82 | CACNA1I (0.60) | CACNA1ICACNA1HCNR2CACNA1GKCNH2 | |
| SCHEMBL3037471 | 0.82 | CACNA1H (0.60) | CACNA1ICACNA1HCNR2CACNA1GKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2010493-B1 | PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK SHARP & DOHME (US) | 2016-01-27 | — | — | EP | disclosed |