Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 5/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16497759 | 1.00 | CACNA1B (0.55) | CACNA1BKCNH2ALDH1A1HTR4SCN9A | |
| SCHEMBL16497760 | 1.00 | CACNA1B (0.55) | CACNA1BKCNH2ALDH1A1HTR4SCN9A | |
| SCHEMBL64928 | 1.00 | CACNA1B (0.55) | CACNA1BKCNH2ALDH1A1HTR4SCN9A | |
| SCHEMBL65947 | 1.00 | CACNA1B (0.55) | CACNA1BKCNH2ALDH1A1HTR4SCN9A | |
| SCHEMBL16498070 | 0.89 | CACNA1B (0.55) | CACNA1BKCNH2ALDH1A1HTR4SCN9A | |
| SCHEMBL65966 | 0.89 | CACNA1B (0.55) | CACNA1BKCNH2ALDH1A1HTR4SCN9A | |
| SCHEMBL66661 | 0.89 | CACNA1B (0.55) | CACNA1BKCNH2ALDH1A1HTR4SCN9A | |
| SCHEMBL16497717 | 0.89 | CACNA1B (0.55) | CACNA1BKCNH2ALDH1A1HTR4SCN9A | |
| SCHEMBL67094 | 0.88 | CACNA1B (0.52) | CACNA1BKCNH2ALDH1A1HTR4SCN9A | |
| SCHEMBL2842532 | 0.88 | CACNA1B (0.52) | CACNA1BKCNH2ALDH1A1HTR4SCN9A |
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 |