Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK3 | P07288 | 8/20 | 0.67 |
| ▸ | F2 | P00734 | 1/20 | 0.60 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | NNMT | P40261 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1853581 | 0.84 | KLK3 (0.61) | KLK3F2MKNK1MKNK2PIK3CA | |
| SCHEMBL25409385 | 0.81 | KLK3 (0.57) | KLK3F2MKNK1MKNK2PIK3CA | |
| SCHEMBL26847558 | 0.70 | KLK3 (0.45) | KLK3F2MKNK1MKNK2PIK3CA | |
| SCHEMBL3754419 | 0.68 | CYP2A6 (0.68) | MKNK1MKNK2PIK3CANNMTHSD17B1 | |
| SCHEMBL31174412 | 0.68 | CYP2A6 (0.68) | MKNK1MKNK2PIK3CANNMTHSD17B1 | |
| SCHEMBL2469483 | 0.68 | MKNK1 (0.46) | KLK3MKNK1MKNK2PIK3CAMTOR | |
| SCHEMBL1852996 | 0.68 | KLK3 (0.44) | KLK3F2PIK3CA | |
| SCHEMBL24029943 | 0.68 | MKNK1 (0.49) | KLK3MKNK1MKNK2PIK3CAMTOR | |
| SCHEMBL16835945 | 0.67 | MKNK1 (0.51) | KLK3MKNK1MKNK2PIK3CAKCNH2 | |
| SCHEMBL29365356 | 0.67 | MKNK1 (0.73) | MKNK1MKNK2NNMTHSD17B1HSD17B2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2323988-A1 | ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS | Wyeth LLC (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010009290-A1 | ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS | WYETH (US) | 2010-01-21 | — | — | WO | disclosed |