Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | GLS | O94925 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL27607835 | 0.85 | CES2 (0.37) | CES2CES1 | |
| SCHEMBL28009251 | 0.82 | CES2 (0.40) | CES2CES1GLSBCHEERN1 | |
| SCHEMBL27806758 | 0.80 | CTSS (0.42) | — | |
| SCHEMBL28046050 | 0.78 | CYP1A2 (0.37) | ERN1 | |
| SCHEMBL13738506 | 0.77 | CES2 (0.36) | CES2CES1BCHE | |
| SCHEMBL13738509 | 0.77 | CES2 (0.36) | CES2CES1BCHE | |
| SCHEMBL20550915 | 0.76 | CES2 (0.43) | CES2CES1GLSBCHEERN1 | |
| SCHEMBL15994982 | 0.73 | CES2 (0.44) | CES2CES1GLSBCHEERN1 | |
| SCHEMBL16956837 | 0.72 | CES2 (0.40) | CES2CES1GLSBCHE | |
| SCHEMBL4664137 | 0.72 | CES2 (0.43) | CES2CES1GLSBCHEERN1 |
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-106795120-A | New pyridine radicals epoxide and phenyl epoxide pyrazolyl compounds | 豪夫迈·罗氏有限公司 | 2017-05-31 | — | — | CN | disclosed |