Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL2896655 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL10456151 | 0.73 | CES2 (0.32) | CES2CES1FFAR3HDAC3HDAC1 | |
| SCHEMBL4621531 | 0.71 | — | — | |
| SCHEMBL5968061 | 0.69 | — | — | |
| SCHEMBL6445413 | 0.68 | CES1 (0.39) | CES2CES1TSHR | |
| SCHEMBL3230149 | 0.67 | CES1 (0.45) | CES2CES1FFAR3HDAC3HDAC1 | |
| SCHEMBL9713097 | 0.65 | TSHR (0.33) | TSHR | |
| SCHEMBL14718286 | 0.65 | CES2 (0.30) | CES2CES1 | |
| SCHEMBL10669493 | 0.62 | — | — | |
| SCHEMBL19585 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009004643-A2 | AN IMPROVED PROCESS FOR PREPARATION OF (S)-PREGABALIN AND INTERMEDIATES THEREOF | CADILA HEALTHCARE LIMITED (IN) | 2009-01-08 | — | — | WO | disclosed |