Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL43430 | 0.81 | NPSR1 (0.38) | CES2CES1NPSR1CYP1A2CYP2C9 | |
| SCHEMBL948916 | 0.80 | CES2 (0.35) | CES2CES1ALDH1A1 | |
| SCHEMBL28309363 | 0.77 | CES2 (0.41) | CES2CES1ALDH1A1 | |
| SCHEMBL8626931 | 0.77 | CES2 (0.41) | CES2CES1ALDH1A1 | |
| SCHEMBL28223430 | 0.76 | CES2 (0.39) | CES2CES1ALDH1A1 | |
| SCHEMBL5017691 | 0.74 | CES2 (0.38) | CES2CES1 | |
| SCHEMBL11867731 | 0.74 | CES2 (0.38) | CES2CES1 | |
| SCHEMBL3691325 | 0.73 | CES2 (0.37) | CES2CES1ALDH1A1 | |
| Acetic Acid SCHEMBL4207571 | 0.72 | CES2 (0.36) | CES2CES1ALDH1A1 | |
| Acetic Acid SCHEMBL2454949 | 0.72 | CES2 (0.36) | CES2CES1ALDH1A1 |
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 3 patents. 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 |
| US-4275250-A | CHEMICAL INTERMEDIATES FOR VINYLCYCLOPROPANE CARBOXYLIC ACID ESTERS OF HALOGENATED BENZYL ALCOHOL WHICH ARE ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-06-23 | — | — | US | disclosed |
| US-4183950-A | Combating arthropods with 2,2-dimethyl-3-vinyl-cyclopropane carboxylic acid esters of halogenated benzyl alcohols | BAYER AKTIENGESELLSCHAFT (DE) | 1980-01-15 | — | — | US | disclosed |