Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 8/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | ACACA | Q13085 | 1/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | JUND | P17535 | 1/20 | 0.33 |
| ▸ | FOSB | P53539 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.32 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4707267 | 0.90 | ACACA (0.38) | XIAPACACBACACATNKSTNKS2 | |
| SCHEMBL4708596 | 0.89 | ACACA (0.36) | XIAPACACBACACATNKSTNKS2 | |
| SCHEMBL4708996 | 0.87 | ACACA (0.35) | ACACBACACATNKSTNKS2PARP2 | |
| SCHEMBL4759738 | 0.87 | HTR7 (0.38) | ACACBACACA | |
| SCHEMBL4710103 | 0.87 | ACACA (0.37) | ACACBACACATNKSTNKS2PARP2 | |
| SCHEMBL4709980 | 0.86 | ACACA (0.36) | XIAPACACBACACATNKSTNKS2 | |
| SCHEMBL4759789 | 0.85 | TNKS (0.34) | XIAPACACBACACATNKSTNKS2 | |
| SCHEMBL4760214 | 0.85 | ACACA (0.34) | ACACBACACATNKSTNKS2JUND | |
| SCHEMBL2362040 | 0.85 | ACACB (0.35) | ACACBACACATNKSTNKS2PARP2 | |
| SCHEMBL4759663 | 0.85 | TTK (0.37) | ACACBACACAGSK3B |
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-1910375-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007011809-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK & CO., INC. (US) | 2007-01-25 | — | — | WO | disclosed |