Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 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 | 1.00 | ABCB1 (0.35) | ABCB1NPSR1MAPK1LMNACYP3A4 | |
| SCHEMBL18629598 | 1.00 | ABCB1 (0.35) | ABCB1NPSR1MAPK1LMNACYP3A4 | |
| SCHEMBL20625562 | 1.00 | ABCB1 (0.35) | ABCB1NPSR1MAPK1LMNACYP3A4 | |
| SCHEMBL18629773 | 1.00 | ABCB1 (0.35) | ABCB1NPSR1MAPK1LMNACYP3A4 | |
| SCHEMBL18629664 | 1.00 | ABCB1 (0.35) | ABCB1NPSR1MAPK1LMNACYP3A4 | |
| SCHEMBL24027045 | 0.84 | PTGS2 (0.32) | ABCB1NPSR1MAPK1PTGS2 | |
| SCHEMBL18629599 | 0.75 | ABCB1 (0.43) | ABCB1NPSR1MAPK1PTGS2KMT2A | |
| SCHEMBL18629597 | 0.75 | ABCB1 (0.43) | ABCB1NPSR1MAPK1PTGS2KMT2A | |
| SCHEMBL25782621 | 0.75 | ABCB1 (0.43) | ABCB1NPSR1MAPK1PTGS2KMT2A | |
| SCHEMBL24026905 | 0.75 | ABCB1 (0.43) | ABCB1NPSR1MAPK1PTGS2KMT2A |
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-3347348-B1 | PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF | P2 SCIENCE INC (US) | 2021-11-17 | — | — | EP | disclosed |
| WO-2017044957-A1 | PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF | P2 SCIENCE, INC. (US) | 2017-03-16 | — | — | WO | disclosed |