Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 4/20 | 0.56 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 5/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 5/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11560654 | 0.78 | GABBR2 (0.49) | GABBR2GABBR1CYP2C9MEN1CYP2D6 | |
| SCHEMBL11560650 | 0.78 | GABBR2 (0.49) | GABBR2GABBR1CYP2C9MEN1CYP2D6 | |
| SCHEMBL5926065 | 0.77 | GABBR2 (0.47) | GABBR2GABBR1CYP2C9MEN1CYP2D6 | |
| SCHEMBL5212433 | 0.75 | GABBR2 (0.53) | GABBR2GABBR1CYP2C9MEN1CYP2D6 | |
| Hydrochloric Acid SCHEMBL6655879 | 0.74 | GABBR2 (0.51) | GABBR2GABBR1CYP2C9MEN1CYP2D6 | |
| 4-Amino-3- (5-Chlorothien-2-Yl)Butanoic Acid SCHEMBL342009 | 0.72 | GABBR2 (1.00) | GABBR2GABBR1CYP2C9MEN1CYP2D6 | |
| SCHEMBL27697147 | 0.71 | GABBR2 (0.66) | GABBR2GABBR1CYP2C9MEN1CYP2D6 | |
| SCHEMBL23972469 | 0.70 | GABBR2 (0.50) | GABBR2GABBR1CYP2D6KMT2AF2 | |
| SCHEMBL17459297 | 0.70 | GABBR2 (0.54) | GABBR2GABBR1MEN1CYP2D6KMT2A | |
| SCHEMBL22190041 | 0.68 | SLC6A2 (0.55) | GABBR2GABBR1CYP2C9MEN1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101422610-A | Chemical composite preparation and use thereof | CAIWEI YUAN (CN) | 2009-05-06 | — | — | CN | claimed |
| CN-101422610-A | Chemical composite preparation and use thereof | CAIWEI YUAN (CN) | 2009-05-06 | — | — | CN | disclosed |