Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL21633942 | 0.94 | GBA1 (0.35) | ESR1ESR2CYP3A4CYP2C9GBA1 | |
| SCHEMBL2439872 | 0.89 | — | — | |
| SCHEMBL21651094 | 0.86 | GBA1 (0.32) | GBA1 | |
| SCHEMBL27832626 | 0.84 | ALOX5 (0.32) | CYP3A4MEN1ALOX15KMT2A | |
| SCHEMBL1697969 | 0.84 | — | — | |
| SCHEMBL23924479 | 0.82 | CYP1A2 (0.36) | — | |
| SCHEMBL6562400 | 0.76 | ESR2 (0.50) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21651096 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL2970868 | 0.74 | ABCB11 (0.30) | — | |
| SCHEMBL2970867 | 0.74 | ABCB11 (0.30) | — |
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-2020020434-A1 | NOVEL ODORANTS HAVING ROSE ODOUR | SYMRISE AG (DE) | 2020-01-30 | — | — | WO | disclosed |