Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 3/20 | 0.43 |
| ▸ | ESRRB | O95718 | 1/20 | 0.42 |
| ▸ | ESRRA | P11474 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | MIF | P14174 | 3/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21626070 | 1.00 | APP (0.43) | APPESRRBESRRACA12CA9 | |
| SCHEMBL17231342 | 1.00 | APP (0.43) | APPESRRBESRRACA12CA9 | |
| SCHEMBL15782525 | 1.00 | APP (0.43) | APPESRRBESRRACA12CA9 | |
| SCHEMBL21626064 | 0.81 | ESRRB (0.44) | APPESRRBESRRACA12CA9 | |
| SCHEMBL21626101 | 0.78 | ADRA1A (0.42) | APPESRRBESRRACA12CA9 | |
| SCHEMBL15782494 | 0.78 | ADRA1A (0.42) | APPESRRBESRRACA12CA9 | |
| SCHEMBL19491276 | 0.78 | ESRRB (0.47) | APPESRRBESRRACA12CA9 | |
| SCHEMBL15782492 | 0.78 | HSD17B3 (0.35) | CA9MIFHSD17B3PFKFB3ESR2 | |
| SCHEMBL23579530 | 0.76 | APP (0.47) | APPESRRBESRRACA12CA9 | |
| SCHEMBL12444682 | 0.74 | ESRRB (0.48) | APPESRRBESRRACA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2928877-B1 | DISULFIDE MASKED PRODRUG COMPOSITIONS AND METHODS | MERCK SHARP & DOHME (US) | 2020-01-22 | — | — | EP | disclosed |