Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 3/20 | 0.34 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.31 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.31 |
| ▸ | GRIK3 | Q13003 | 2/20 | 0.31 |
| ▸ | GRIK5 | Q16478 | 2/20 | 0.31 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.31 |
| ▸ | SLC22A6 | Q4U2R8 | 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 | |
|---|---|---|---|---|
| Pyruvate SCHEMBL12003773 | 0.94 | GRIK1 (0.31) | GRIK1GRIK2MMP1MMP2MMP3 | |
| SCHEMBL16059953 | 0.90 | — | — | |
| SCHEMBL166411 | 0.90 | — | — | |
| SCHEMBL109971 | 0.90 | — | — | |
| 2-Oxoisohexanoate SCHEMBL31717986 | 0.83 | CA2 (0.44) | GRIK1GRIK2MMP1MMP2MMP3 | |
| SCHEMBL14943775 | 0.75 | TP53 (0.36) | TP53MMP1MMP2MMP3MMP9 | |
| SCHEMBL2139645 | 0.73 | GRIK1 (0.56) | GRIK1GRIK2TP53GRIA2GRIA4 | |
| SCHEMBL2139638 | 0.73 | GRIK1 (0.56) | GRIK1GRIK2TP53GRIA2GRIA4 | |
| SCHEMBL1396082 | 0.72 | — | — | |
| SCHEMBL19615566 | 0.71 | SLC22A6 (0.36) | TP53CA2OR51E2SLC22A6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2940141-A1 | Method for the enzymatic production of 3-hydroxy-3-methylbutyric acid from acetone and acetyl-CoA | Scientist of Fortune S.A. (LU) | 2015-11-04 | — | — | EP | disclosed |
| EP-2478109-A1 | METHOD FOR THE ENZYMATIC PRODUCTION OF 3-HYDROXY-S-METHYLBUTYRIC ACID FROM ACETONE AND ACETYL-COA | Marlière, Philippe (BE) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011032934-A1 | METHOD FOR THE ENZYMATIC PRODUCTION OF 3-HYDROXY-S-METHYLBUTYRIC ACID FROM ACETONE AND ACETYL-COA | MARLIERE PHILIPPE (FR) | 2011-03-24 | — | — | WO | disclosed |
| EP-2295593-A1 | Method for the enymatic production of 3-hydroxy-3-methylbutyric acid from acetone and acetyl-CoA | Marliere, Philippe (FR) | 2011-03-16 | — | — | EP | disclosed |