Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TOP1 | P11387 | 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 | |
|---|---|---|---|---|
| SCHEMBL1291723 | 1.00 | PTGS2 (0.35) | PTGS2POLBL3MBTL1PTGS1CYP3A4 | |
| SCHEMBL1291721 | 1.00 | PTGS2 (0.35) | PTGS2POLBL3MBTL1PTGS1CYP3A4 | |
| SCHEMBL1291722 | 1.00 | PTGS2 (0.35) | PTGS2POLBL3MBTL1PTGS1CYP3A4 | |
| SCHEMBL1292044 | 0.80 | PTGS2 (0.38) | PTGS2POLBCYP3A4GABRA1GABRB2 | |
| SCHEMBL1292020 | 0.80 | CYP3A4 (0.47) | PTGS2POLBL3MBTL1PTGS1CYP3A4 | |
| SCHEMBL29852250 | 0.80 | PTGS2 (0.40) | PTGS2POLBL3MBTL1PTGS1CYP3A4 | |
| SCHEMBL1291782 | 0.80 | PTGS2 (0.40) | PTGS2POLBL3MBTL1PTGS1CYP3A4 | |
| SCHEMBL1292040 | 0.77 | ALDH1A1 (0.46) | PTGS2POLBALDH1A1 | |
| SCHEMBL1292093 | 0.76 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL1663353 | 0.70 | PTGS2 (0.38) | PTGS2POLBPTGS1CYP3A4 |
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-2624811-B1 | BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS | FIRMENICH & CIE (CH) | 2017-06-21 | — | — | EP | disclosed |