Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.44 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | CPB1 | P15086 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16144650 | 0.82 | ALDH1A1 (0.54) | ALDH1A1NPSR1NOTUMF2CPB1 | |
| SCHEMBL8102172 | 0.78 | ALDH1A1 (0.50) | ALDH1A1NPSR1NOTUMF2CPB1 | |
| Decane SCHEMBL22716413 | 0.76 | NOTUM (0.72) | ALDH1A1NPSR1NOTUMF2KMT2A | |
| SCHEMBL30690796 | 0.75 | NR1H2 (0.51) | NR1H2NR1H3ALDH1A1LIPGKMT2A | |
| SCHEMBL4927896 | 0.74 | ALDH1A1 (0.53) | ALDH1A1NPSR1NOTUMF2CPB1 | |
| SCHEMBL16867049 | 0.74 | ALDH1A1 (0.57) | ALDH1A1NPSR1NOTUMF2TSHR | |
| SCHEMBL4207326 | 0.73 | ALDH1A1 (0.45) | ALDH1A1NPSR1NOTUMTSHRKMT2A | |
| SCHEMBL13245154 | 0.73 | ALDH1A1 (0.49) | ALDH1A1NPSR1NOTUMF2KMT2A | |
| SCHEMBL12615992 | 0.73 | ALDH1A1 (0.68) | ALDH1A1NPSR1NOTUMF2TSHR | |
| Iodide SCHEMBL30327029 | 0.72 | CYP19A1 (0.46) | NR1H2NR1H3LIPGNOTUM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020240266-A1 | NEW ENDOPEROXIDE COMPOUNDS, PROCESS FOR OBTAINING THEM AND USES THEREOF FOR CONTROL OF PERKINSIOSIS IN BIVALVES | CCMAR - CENTRO DE CIÊNCIAS DO MAR UNIVERSIDADE DO ALGARVE (PT) | 2020-12-03 | — | — | WO | disclosed |