Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | OTUD7B | Q6GQQ9 | 4/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | PYGL | P06737 | 1/20 | 0.35 |
| ▸ | PYGM | P11217 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.34 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2279613 | 1.00 | KIF11 (0.38) | KIF11CRBNDDB1CYP1A2CYP2C9 | |
| SCHEMBL2281716 | 0.86 | PYGL (0.43) | CRBNDDB1PYGLPYGMSIRT2 | |
| SCHEMBL2283972 | 0.86 | PYGL (0.43) | CRBNDDB1PYGLPYGMSIRT2 | |
| SCHEMBL2283134 | 0.84 | RIPK1 (0.43) | CRBNDDB1PYGLPYGMBRD4 | |
| SCHEMBL2284752 | 0.84 | RIPK1 (0.43) | CRBNDDB1PYGLPYGMBRD4 | |
| SCHEMBL2361799 | 0.84 | DDB1 (0.41) | CRBNDDB1PDE3BPDE3ARIPK1 | |
| SCHEMBL17312839 | 0.83 | GSK3B (0.32) | PDE3BPDE3AGSK3BRIPK1 | |
| SCHEMBL17312837 | 0.83 | GSK3B (0.32) | PDE3BPDE3AGSK3BRIPK1 | |
| SCHEMBL17312581 | 0.81 | RIPK1 (0.44) | CRBNDDB1GSK3BRIPK1 | |
| SCHEMBL17312580 | 0.81 | RIPK1 (0.44) | CRBNDDB1GSK3BRIPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7994162-B2 | 2-alkoxy-3,4,5-trihydroxy-alkylamide-benzazepines, the preparation and use thereof, and compositions containing the same | SANOFI-AVENTIS (FR) | 2011-08-09 | — | — | US | disclosed |