Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 11/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7375055 | 0.69 | PKM (0.38) | CACNA1BALDH1A1 | |
| SCHEMBL24068085 | 0.67 | KDM4E (0.35) | ALDH1A1 | |
| SCHEMBL28939503 | 0.66 | MAPK1 (0.49) | CACNA1BALDH1A1 | |
| SCHEMBL24068074 | 0.64 | KDM4E (0.33) | — | |
| SCHEMBL9312804 | 0.62 | ABCC1 (0.65) | CACNA1BALDH1A1 | |
| SCHEMBL24068172 | 0.62 | KDM4E (0.32) | ALDH1A1 | |
| SCHEMBL24068083 | 0.61 | KDM4E (0.33) | — | |
| SCHEMBL13193039 | 0.61 | KDM4E (0.33) | — | |
| SCHEMBL4503644 | 0.61 | CACNA1B (0.65) | CACNA1B | |
| SCHEMBL28438034 | 0.60 | ALDH1A1 (0.55) | CACNA1BALDH1A1 |
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-4735956-A | Certain 1,4-dihydro-2,6-di-lower hydrocarbyl-4-heterocyclic-3,5-pyridine dicarboxylates which are useful as calcium channel blockers | MERCK & CO., INC. (US) | 1988-04-05 | — | — | US | disclosed |