Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL415893 | 0.70 | CYP2C9 (0.46) | PTGS2CYP3A4CYP2C9CYP2C19CES2 | |
| SCHEMBL31685229 | 0.70 | CYP2C9 (0.46) | PTGS2CYP3A4CYP2C9CYP2C19CES2 | |
| SCHEMBL5414214 | 0.70 | CES2 (0.32) | CYP3A4CYP2C9CYP2C19CES2CES1 | |
| SCHEMBL14686290 | 0.70 | ERN1 (0.34) | PTGS2CES2CES1 | |
| SCHEMBL5254075 | 0.69 | CES2 (0.35) | CES2CES1 | |
| SCHEMBL2642563 | 0.67 | PTGS2 (0.41) | PTGS2CES2CES1 | |
| SCHEMBL14686303 | 0.67 | NFE2L2 (0.50) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL16961165 | 0.65 | CES2 (0.37) | CES2CES1ALDH1A1 | |
| SCHEMBL16960497 | 0.65 | CES2 (0.32) | CYP3A4CYP2C9CYP2C19CES2CES1 | |
| SCHEMBL14686297 | 0.65 | PTGS2 (0.46) | PTGS2SMN1; SMN2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101180266-B | As the alpha ketoamide compounds of cystatin | Vero Bay (US) | 2015-11-25 | — | — | CN | disclosed |