Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20625421 | 0.84 | ABCB1 (0.35) | PTGS2MAPK1NPSR1ABCB1 | |
| SCHEMBL20625562 | 0.84 | ABCB1 (0.35) | PTGS2MAPK1NPSR1ABCB1 | |
| SCHEMBL18629598 | 0.84 | ABCB1 (0.35) | PTGS2MAPK1NPSR1ABCB1 | |
| SCHEMBL18629773 | 0.84 | ABCB1 (0.35) | PTGS2MAPK1NPSR1ABCB1 | |
| SCHEMBL18629664 | 0.84 | ABCB1 (0.35) | PTGS2MAPK1NPSR1ABCB1 | |
| SCHEMBL18629601 | 0.84 | ABCB1 (0.35) | PTGS2MAPK1NPSR1ABCB1 | |
| SCHEMBL25784645 | 0.74 | ABCB1 (0.35) | ABCB1 | |
| SCHEMBL19683664 | 0.68 | ALOX15 (0.36) | ABCB1 | |
| SCHEMBL19683499 | 0.68 | ALOX15 (0.36) | ABCB1 | |
| SCHEMBL19683466 | 0.68 | ALOX15 (0.36) | ABCB1 |
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-3347348-B1 | PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF | P2 SCIENCE INC (US) | 2021-11-17 | — | — | EP | disclosed |