Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3823125 | 1.00 | NR1I2 (0.30) | NR1I2ABCB11LMNA | |
| SCHEMBL3822433 | 0.87 | APLNR (0.38) | NR1I2ABCB11LMNA | |
| SCHEMBL3822435 | 0.87 | APLNR (0.38) | NR1I2ABCB11LMNA | |
| SCHEMBL3825110 | 0.82 | APLNR (0.38) | NR1I2ABCB11LMNA | |
| SCHEMBL3825105 | 0.82 | APLNR (0.38) | NR1I2ABCB11LMNA | |
| SCHEMBL3827057 | 0.67 | LMNA (0.38) | NR1I2ABCB11LMNA | |
| SCHEMBL3827061 | 0.67 | LMNA (0.38) | NR1I2ABCB11LMNA | |
| SCHEMBL6809283 | 0.65 | CPN1 (0.39) | LMNA | |
| SCHEMBL6714194 | 0.63 | CPB2 (0.36) | — | |
| SCHEMBL8649769 | 0.62 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1648526-B1 | CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS | SYMRISE GMBH & CO KG (DE) | 2009-09-09 | — | — | EP | disclosed |