Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10126424 | 0.81 | CACNA2D1 (0.33) | CACNA2D1CACNB2CACNA1C | |
| SCHEMBL30780982 | 0.79 | — | — | |
| SCHEMBL30780980 | 0.79 | — | — | |
| SCHEMBL6067642 | 0.74 | — | — | |
| SCHEMBL31526858 | 0.70 | TDP1 (0.30) | — | |
| SCHEMBL20151688 | 0.69 | — | — | |
| SCHEMBL30282391 | 0.69 | CACNA2D1 (0.39) | CACNA2D1CACNB2CACNA1C | |
| SCHEMBL15931469 | 0.67 | CACNA2D1 (0.33) | CACNA2D1CACNB2CACNA1C | |
| SCHEMBL15402524 | 0.65 | — | — | |
| SCHEMBL31526768 | 0.64 | — | — |
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-6121442-A | 1,2-dialkinylated compounds | UNIVERSITY OF HEILDELBERG (DE) | 2000-09-19 | — | — | US | disclosed |