Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7333433 | 0.84 | AAK1 (0.41) | AAK1MMP13CA12CA14 | |
| SCHEMBL20309981 | 0.80 | CA1 (0.40) | AAK1MMP13CA12CA14 | |
| SCHEMBL30916078 | 0.77 | AAK1 (0.36) | AAK1MMP13CA12CA14 | |
| SCHEMBL31556032 | 0.77 | CA12 (0.41) | AAK1MMP13CA12CA14 | |
| SCHEMBL21447817 | 0.77 | AAK1 (0.35) | AAK1MMP13CA12CA14 | |
| SCHEMBL23005858 | 0.77 | AAK1 (0.49) | AAK1MMP13CA12CA14 | |
| SCHEMBL24093716 | 0.77 | AAK1 (0.49) | AAK1MMP13CA12CA14 | |
| SCHEMBL3301368 | 0.76 | AAK1 (0.38) | AAK1MMP13CA12CA14 | |
| SCHEMBL18235375 | 0.76 | AAK1 (0.38) | AAK1MMP13CA12CA14 | |
| SCHEMBL30743001 | 0.76 | AAK1 (0.38) | AAK1MMP13CA12CA14 |
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-2012058127-A2 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-05-03 | — | — | WO | disclosed |