Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9812577 | 1.00 | CES2 (0.39) | CES2CES1PABPC1EIF4HCTDSP1 | |
| SCHEMBL453413 | 0.83 | CES2 (0.39) | CES2CES1PABPC1EIF4HCTDSP1 | |
| SCHEMBL1664173 | 0.83 | CES2 (0.39) | CES2CES1PABPC1EIF4HCTDSP1 | |
| Benzene SCHEMBL4662165 | 0.82 | EPHX2 (0.50) | EPHX2FAAH | |
| Toluene SCHEMBL29011424 | 0.81 | MCHR1 (0.43) | CES2CES1PABPC1EIF4HCTDSP1 | |
| SCHEMBL452106 | 0.80 | CES2 (0.39) | CES2CES1PABPC1EIF4HCTDSP1 | |
| SCHEMBL7553972 | 0.80 | FAAH (0.50) | CES1EPHX2FAAH | |
| Diphenylether SCHEMBL5833444 | 0.79 | PABPC1 (0.59) | PABPC1EIF4HCTDSP1MMP1MMP9 | |
| SCHEMBL5465356 | 0.78 | PABPC1 (0.40) | CES2CES1PABPC1EIF4HCTDSP1 | |
| SCHEMBL28934968 | 0.78 | FAAH (0.56) | CES2CES1EPHX2FAAH |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0273173-B1 | PROCESS FOR THE PREPARATION OF FATTY ACID NITRILES AND GLYCERIN FROM GLYCERIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-03 | — | — | EP | disclosed |
| US-4801730-A | Process for the preparation of fatty acid nitriles and glycerol from glycerides | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-01-31 | — | — | US | disclosed |