Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | FKBP4 | Q02790 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | SHH | Q15465 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15616246 | 1.00 | CA1 (0.42) | CA1CA9ATMCYP2C19CYP2D6 | |
| SCHEMBL15616247 | 1.00 | CA1 (0.42) | CA1CA9ATMCYP2C19CYP2D6 | |
| SCHEMBL4478118 | 1.00 | CA1 (0.42) | CA1CA9ATMCYP2C19CYP2D6 | |
| SCHEMBL15616240 | 1.00 | CA1 (0.42) | CA1CA9ATMCYP2C19CYP2D6 | |
| SCHEMBL15616242 | 1.00 | CA1 (0.42) | CA1CA9ATMCYP2C19CYP2D6 | |
| SCHEMBL15616241 | 0.83 | CYP2C19 (0.41) | CA1CA9ATMCYP2C19CYP2D6 | |
| SCHEMBL15616245 | 0.83 | CYP2C19 (0.41) | CA1CA9ATMCYP2C19CYP2D6 | |
| SCHEMBL15577084 | 0.83 | CYP2C19 (0.41) | CA1CA9ATMCYP2C19CYP2D6 | |
| SCHEMBL30743830 | 0.83 | CYP2C19 (0.41) | CA1CA9ATMCYP2C19CYP2D6 | |
| SCHEMBL15577083 | 0.83 | CYP2C19 (0.41) | CA1CA9ATMCYP2C19CYP2D6 |
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-2014040636-A1 | UNSATURATED LACTONES AS ODORANTS | SYMRISE AG (DE) | 2014-03-20 | — | — | WO | disclosed |