Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL191229 | 0.69 | MAPK1 (0.37) | NR1H2NR1H3ALDH1A1TSHR | |
| SCHEMBL5839238 | 0.68 | NR1H2 (0.31) | NR1H2NR1H3 | |
| SCHEMBL7737245 | 0.68 | TSHR (0.37) | NR1H2NR1H3ALDH1A1TSHR | |
| SCHEMBL3481991 | 0.68 | NR1H2 (0.37) | NR1H2NR1H3 | |
| SCHEMBL6326276 | 0.68 | NR1H2 (0.31) | NR1H2NR1H3 | |
| SCHEMBL2970013 | 0.67 | TSHR (0.38) | ALDH1A1TSHR | |
| SCHEMBL5373833 | 0.67 | RIPK1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL15054667 | 0.64 | NR1H2 (0.34) | NR1H2NR1H3 | |
| SCHEMBL8136181 | 0.64 | HTR6 (0.38) | ALDH1A1TSHR | |
| SCHEMBL8572745 | 0.64 | TSHR (0.42) | ALDH1A1TSHR |
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-6414173-B1 | TRANSMETALLATION REACTION, COMPRISING: CONTACTING PALLADIUM CATALYST WITH AROYL, ALKANOYL, OR ARALKANOYL ESTER OF ALLYLIC ALCOHOL; AND HYPERVALENT SILICON SPECIES | UNIVERSITY OF MARYLAND | 2002-07-02 | — | — | US | disclosed |