Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.30 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL1122469 | 0.79 | ALDH1A1 (0.39) | EPHX2HSD11B1MAPTTSHRALDH1A1 | |
| SCHEMBL29117542 | 0.77 | HSD11B1 (0.37) | EPHX2HSD11B1MAPTTSHRALDH1A1 | |
| SCHEMBL27645626 | 0.74 | HSD11B1 (0.37) | HSD11B1 | |
| SCHEMBL29117691 | 0.74 | TSHR (0.44) | EPHX2TSHRALDH1A1 | |
| SCHEMBL12003305 | 0.73 | EPHX2 (0.32) | EPHX2MAPTTSHRCACNA1BAPBA1 | |
| SCHEMBL216297 | 0.73 | ALDH1A1 (0.38) | EPHX2HSD11B1ALDH1A1 | |
| SCHEMBL3432496 | 0.73 | KMT2A (0.38) | CYP3A4MAPTTSHRCACNA1BAPBA1 | |
| Acrylic Acid SCHEMBL28320731 | 0.72 | LMNA (0.32) | HSD11B1TSHRALDH1A1 | |
| SCHEMBL11297329 | 0.70 | EPHX2 (0.42) | EPHX2CYP3A4MAPTTSHRALDH1A1 | |
| SCHEMBL6871297 | 0.69 | ALDH1A1 (0.43) | CYP3A4MAPTTSHRCACNA1BAPBA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4332964-A | Unsaturated esters of adamantane containing diols and thermo-resistant cross-linked polymers therefrom | BATTELLE DEVELOPMENT CORPORATION (US) | 1982-06-01 | — | — | US | disclosed |