Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3856615 | 0.87 | — | — | |
| SCHEMBL2660915 | 0.83 | PRKDC (0.35) | PIK3CA | |
| SCHEMBL3787356 | 0.83 | PRKDC (0.35) | PIK3CA | |
| SCHEMBL308322 | 0.80 | ACACB (0.43) | — | |
| SCHEMBL4883777 | 0.78 | — | — | |
| SCHEMBL3856567 | 0.77 | — | — | |
| SCHEMBL1535057 | 0.77 | ACACB (0.34) | — | |
| SCHEMBL2360849 | 0.77 | ACACB (0.34) | — | |
| SCHEMBL3856569 | 0.76 | ACACB (0.34) | — | |
| SCHEMBL4783523 | 0.75 | — | — |
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-2111406-A1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | Merck & Co., Inc. (US) | 2009-10-28 | — | — | EP | disclosed |
| WO-2008088688-A1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |