Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL10299642 | 0.88 | — | — | |
| SCHEMBL24326439 | 0.83 | — | — | |
| SCHEMBL14132586 | 0.83 | — | — | |
| SCHEMBL13449809 | 0.82 | CYP1A2 (0.46) | CYP1A2CA1CA9PPARG | |
| SCHEMBL12459735 | 0.82 | CYP1A2 (0.46) | CYP1A2CA1CA9PPARG | |
| SCHEMBL863721 | 0.80 | CYP1A2 (0.44) | CYP1A2CA1CA9PPARG | |
| SCHEMBL310717 | 0.80 | CYP1A2 (0.58) | CYP1A2CA1CA9NOS3NOS1 | |
| SCHEMBL13477018 | 0.80 | CYP1A2 (0.58) | CYP1A2CA1CA9NOS3NOS1 | |
| SCHEMBL864534 | 0.78 | CYP1A2 (0.51) | CYP1A2CA1CA9PPARG | |
| SCHEMBL918003 | 0.77 | CYP1A2 (0.69) | CYP1A2CA1CA9NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8148324-B2 | Aldolases, nucleic acids encoding them; improving thermal stability of enzyme; biosynthesis of atorvastatin, rosuvastatin, fluvastatin starting from e.g. acetaldehyde and chloroacetaldehyde, using enzyme 2-deoxyribose-5-phosphate aldolase (DERA) to form pyran intermediate | VERENIUM CORPORATION (US) | 2012-04-03 | — | — | US | disclosed |
| US-20080289056-A1 | CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STATIN INTERMEDIATES | VERENIUM CORPORATION (US) | 2008-11-20 | — | — | US | disclosed |