Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 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 | |
|---|---|---|---|---|
| SCHEMBL733069 | 0.81 | EPHX2 (0.49) | CYP2C9EPHX2CACNA1C | |
| SCHEMBL4419120 | 0.81 | — | — | |
| SCHEMBL4422498 | 0.80 | CYP2C9 (0.35) | CYP2C9EPHX2CACNA1C | |
| SCHEMBL1535057 | 0.79 | ACACB (0.34) | — | |
| SCHEMBL2360849 | 0.79 | ACACB (0.34) | — | |
| SCHEMBL3856569 | 0.78 | ACACB (0.34) | — | |
| SCHEMBL3856567 | 0.78 | — | — | |
| SCHEMBL4783523 | 0.76 | — | — | |
| SCHEMBL1570370 | 0.72 | GSK3B (0.35) | — | |
| SCHEMBL3858724 | 0.71 | ACACB (0.34) | — |
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-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |