Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 11/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL67106 | 1.00 | CACNA1B (0.49) | CACNA1BKCNH2ALDH1A1SCN9A | |
| SCHEMBL65709 | 1.00 | CACNA1B (0.49) | CACNA1BKCNH2ALDH1A1SCN9A | |
| SCHEMBL65708 | 1.00 | CACNA1B (0.49) | CACNA1BKCNH2ALDH1A1SCN9A | |
| SCHEMBL1336720 | 1.00 | CACNA1B (0.49) | CACNA1BKCNH2ALDH1A1SCN9A | |
| SCHEMBL64745 | 1.00 | CACNA1B (0.49) | CACNA1BKCNH2ALDH1A1SCN9A | |
| SCHEMBL66463 | 1.00 | CACNA1B (0.49) | CACNA1BKCNH2ALDH1A1SCN9A | |
| SCHEMBL64744 | 1.00 | CACNA1B (0.49) | CACNA1BKCNH2ALDH1A1SCN9A | |
| SCHEMBL1336723 | 1.00 | CACNA1B (0.49) | CACNA1BKCNH2ALDH1A1SCN9A | |
| SCHEMBL66422 | 0.93 | CACNA1B (0.45) | CACNA1BKCNH2 | |
| SCHEMBL65817 | 0.93 | CACNA1B (0.45) | CACNA1BKCNH2 |
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-8129417-B2 | Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers | ABBOTT LABORATORIES (US) | 2012-03-06 | — | — | US | disclosed |