Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 17/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2847592 | 1.00 | CACNA1B (0.59) | CACNA1BKCNH2SCN9A | |
| SCHEMBL2841808 | 0.92 | CACNA1B (0.58) | CACNA1BKCNH2SCN9A | |
| SCHEMBL3243073 | 0.92 | CACNA1B (0.58) | CACNA1BKCNH2SCN9A | |
| SCHEMBL3242007 | 0.92 | CACNA1B (0.58) | CACNA1BKCNH2SCN9A | |
| SCHEMBL2842332 | 0.90 | CACNA1B (0.54) | CACNA1BKCNH2SCN9A | |
| SCHEMBL16498023 | 0.90 | CACNA1B (0.54) | CACNA1BKCNH2SCN9A | |
| SCHEMBL66464 | 0.88 | CACNA1B (0.67) | CACNA1BKCNH2 | |
| SCHEMBL67467 | 0.87 | CACNA1B (0.56) | CACNA1BKCNH2SCN9A | |
| SCHEMBL67676 | 0.86 | CACNA1B (0.70) | CACNA1BKCNH2SCN9A | |
| SCHEMBL67945 | 0.86 | CACNA1B (0.51) | CACNA1BKCNH2SCN9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010062927-A2 | NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS | ABBOTT LABORATORIES (US) | 2010-06-03 | — | — | WO | disclosed |