Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18899078 | 0.98 | ALDH1A1 (0.43) | ALDH1A1CXCR4SMN1; SMN2 | |
| SCHEMBL21142461 | 0.92 | ALDH1A1 (0.47) | ALDH1A1CXCR4SMN1; SMN2 | |
| SCHEMBL21142462 | 0.92 | ALDH1A1 (0.47) | ALDH1A1CXCR4SMN1; SMN2 | |
| SCHEMBL25685247 | 0.92 | ALDH1A1 (0.47) | ALDH1A1CXCR4SMN1; SMN2 | |
| SCHEMBL18664102 | 0.87 | — | — | |
| SCHEMBL4237103 | 0.78 | — | — | |
| SCHEMBL18373104 | 0.74 | — | — | |
| SCHEMBL172691 | 0.74 | — | — | |
| SCHEMBL13195668 | 0.74 | — | — | |
| SCHEMBL13609726 | 0.74 | — | — |
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-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |