Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.37 |
| ▸ | CNR2 | P34972 | 3/20 | 0.37 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.36 |
| ▸ | HSD11B2 | P80365 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 11/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL9842090 | 1.00 | CNR1 (0.37) | CNR1CNR2STSHSD11B1HSD11B2 | |
| Fluoride SCHEMBL9841326 | 0.94 | STS (0.33) | CNR1CNR2STSHSD11B1HSD11B2 | |
| Fluoride SCHEMBL9841426 | 0.87 | SLC6A4 (0.31) | — | |
| Fluoride SCHEMBL9841443 | 0.83 | HSD11B1 (0.37) | CNR1CNR2STSHSD11B1HSD11B2 | |
| SCHEMBL10585311 | 0.83 | CYP19A1 (0.51) | CNR1CNR2STSHSD11B1HSD11B2 | |
| SCHEMBL10584455 | 0.82 | MMP2 (0.46) | HSD11B1HSD11B2MMP2MMP9 | |
| SCHEMBL7019483 | 0.81 | ESR1 (0.41) | CNR1CNR2HSD11B1HSD11B2 | |
| SCHEMBL7021338 | 0.79 | HSD11B1 (0.37) | CNR1CNR2STSHSD11B1HSD11B2 | |
| SCHEMBL7021356 | 0.79 | HSD11B1 (0.37) | CNR1CNR2STSHSD11B1HSD11B2 | |
| SCHEMBL10582303 | 0.79 | TSHR (0.44) | HSD11B1HSD11B2CYP19A1 |
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-5055223-A | For use in liquid crystal display elements | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-10-08 | — | — | US | disclosed |