Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.30 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL15049694 | 0.82 | — | — | |
| SCHEMBL15857637 | 0.76 | NQO1 (0.33) | HMGCRCYP3A4NQO1CA1CA9 | |
| SCHEMBL766908 | 0.75 | — | — | |
| SCHEMBL4301121 | 0.75 | — | — | |
| SCHEMBL21964213 | 0.75 | ESR1 (0.34) | NQO1KDM4EMAPTESR2ESR1 | |
| SCHEMBL19336892 | 0.75 | NQO1 (0.31) | NQO1 | |
| SCHEMBL19441371 | 0.73 | NQO1 (0.30) | NQO1KDM4E | |
| SCHEMBL19179120 | 0.73 | HMGCR (0.36) | HMGCRCYP3A4NQO1ESR2ESR1 | |
| SCHEMBL19336863 | 0.72 | NQO1 (0.33) | NQO1CA1CA9 | |
| SCHEMBL18746360 | 0.72 | TRPA1 (0.48) | CYP3A4KDM4EMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3835284-A1 | INTERMOLECULAR REACTION OF PROPARGYL ETHERS WITH DIMETHYLFURAN IN THE PRESENCE OF GOLD(I) COMPLEXES | DSM IP Assets B.V. (NL) | 2021-06-16 | — | — | EP | disclosed |
| EP-3394020-B1 | INTERMOLECULAR REACTION OF PROPARGYL ETHERS WITH DIMETHYLFURAN IN THE PRESENCE OF GOLD(I) COMPLEXES | DSM IP ASSETS BV (NL) | 2021-01-27 | — | — | EP | disclosed |