Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1I | Q9P0X4 | 3/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.41 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 2/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6902127 | 1.00 | CACNA1I (0.41) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL1063142 | 0.83 | CACNA1I (0.51) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL6903569 | 0.83 | CYP2C9 (0.38) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL11918391 | 0.83 | CYP2C9 (0.38) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL1832351 | 0.83 | CYP2C9 (0.38) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL1062849 | 0.81 | CACNA1I (0.43) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL1064385 | 0.79 | CACNA1I (0.42) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL1062617 | 0.78 | CACNA1I (0.39) | CACNA1ICACNA1GCACNA1HCNR2KCNH2 | |
| SCHEMBL6902180 | 0.77 | S1PR4 (0.30) | — | |
| SCHEMBL11899526 | 0.77 | S1PR4 (0.30) | — |
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-2493297-B1 | HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK SHARP & DOHME (US) | 2016-08-17 | — | — | EP | disclosed |