Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 10/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2419349 | 0.92 | CACNA1B (0.51) | CACNA1BKCNH2 | |
| SCHEMBL2418610 | 0.92 | CACNA1B (0.51) | CACNA1BKCNH2 | |
| SCHEMBL3237926 | 0.92 | CACNA1B (0.51) | CACNA1BKCNH2 | |
| SCHEMBL16497912 | 0.92 | CACNA1B (0.51) | CACNA1BKCNH2 | |
| SCHEMBL2847786 | 0.87 | CACNA1B (0.51) | CACNA1BKCNH2S1PR1SIGMAR1 | |
| SCHEMBL68241 | 0.87 | CACNA1B (0.46) | CACNA1BKCNH2S1PR1SIGMAR1S1PR5 | |
| SCHEMBL68240 | 0.87 | CACNA1B (0.46) | CACNA1BKCNH2S1PR1SIGMAR1S1PR5 | |
| SCHEMBL2418250 | 0.87 | CACNA1B (0.51) | CACNA1BKCNH2 | |
| SCHEMBL2849916 | 0.84 | CACNA1B (0.45) | CACNA1BKCNH2S1PR1SIGMAR1S1PR5 | |
| SCHEMBL2847790 | 0.84 | CACNA1B (0.45) | CACNA1BKCNH2S1PR1SIGMAR1S1PR5 |
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 |