Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 6/20 | 0.43 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.41 |
| ▸ | ITGAL | P20701 | 1/20 | 0.41 |
| ▸ | SLC6A7 | Q99884 | 4/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 3/20 | 0.35 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL3040098 | 1.00 | PGR (0.43) | PGRITGB2ICAM1ITGALSLC6A7 | |
| SCHEMBL2784445 | 0.90 | ITGB2 (0.41) | PGRITGB2ICAM1ITGALGRIN1 | |
| SCHEMBL3031304 | 0.90 | PGR (0.43) | PGRITGB2ICAM1ITGALGRIN1 | |
| SCHEMBL3047154 | 0.89 | ITGB2 (0.38) | PGRITGB2ICAM1ITGALGRIN1 | |
| SCHEMBL3040094 | 0.89 | ITGB2 (0.37) | PGRITGB2ICAM1ITGALSLC6A7 | |
| SCHEMBL3031160 | 0.87 | SLC6A7 (0.38) | SLC6A7GRIN1GRIN2BBACE1CTSD | |
| SCHEMBL3033345 | 0.86 | PGR (0.40) | PGRITGB2ICAM1ITGALGRIN1 | |
| SCHEMBL3037370 | 0.85 | SUCNR1 (0.38) | ITGB2ICAM1ITGALGRIN1GRIN2B | |
| SCHEMBL2787392 | 0.84 | PGR (0.44) | PGRITGB2ICAM1ITGALGRIN1 | |
| SCHEMBL3034171 | 0.84 | PGR (0.40) | PGRITGB2ICAM1ITGALGRIN1 |
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-2209373-B1 | N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK SHARP & DOHME (US) | 2012-05-23 | — | — | EP | disclosed |