Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | GLS | O94925 | 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 | |
|---|---|---|---|---|
| SCHEMBL43500 | 0.78 | — | — | |
| SCHEMBL5318174 | 0.72 | NFKB1 (0.44) | CES2CES1BCHENPSR1 | |
| SCHEMBL4606754 | 0.68 | CES2 (0.40) | CES2CES1 | |
| SCHEMBL8720874 | 0.67 | CES2 (0.55) | CES2CES1BCHENPSR1 | |
| SCHEMBL4418499 | 0.64 | CES2 (0.51) | CES2CES1BCHEGLS | |
| Hydrochloric Acid SCHEMBL8873978 | 0.64 | IDO1 (0.46) | CES2CES1BCHE | |
| SCHEMBL27876509 | 0.64 | CES2 (0.47) | CES2CES1BCHENPSR1GLS | |
| SCHEMBL27700199 | 0.63 | CES2 (0.46) | CES2CES1BCHE | |
| SCHEMBL6405941 | 0.63 | CES2 (0.44) | CES2CES1BCHEGLS | |
| SCHEMBL7777116 | 0.63 | CES2 (0.53) | CES2CES1BCHENPSR1CYP1A2 |
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-2011157444-A1 | FUNCTIONALIZED MATERIALS BY CATALYZED CARBENE COPOLYMERIZATION | STICHTING DUTCH POLYMER INSTITUTE (NL) | 2011-12-22 | — | — | WO | disclosed |