Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.47 |
| ▸ | CES1 | P23141 | 4/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10605889 | 0.77 | CYP3A4 (0.40) | CES2CES1PTGS2ESR1ESR2 | |
| SCHEMBL28789945 | 0.76 | CES2 (0.46) | CES2CES1ALDH1A1PTPN1ERCC5 | |
| SCHEMBL6832635 | 0.74 | CES2 (0.44) | CES2CES1ALDH1A1PTPN1ERCC5 | |
| SCHEMBL1174501 | 0.74 | ALDH1A1 (0.44) | CES2CES1ALDH1A1PTPN1ERCC5 | |
| SCHEMBL6832632 | 0.74 | CES2 (0.44) | CES2CES1ALDH1A1PTPN1ERCC5 | |
| SCHEMBL9447847 | 0.74 | CES1 (0.52) | CES2CES1PTGS2ESR1ESR2 | |
| SCHEMBL8515211 | 0.74 | CES1 (0.52) | CES2CES1PTGS2ESR1ESR2 | |
| SCHEMBL27693963 | 0.72 | CES2 (0.47) | CES2CES1PTGS2ALDH1A1PTPN1 | |
| SCHEMBL2229985 | 0.72 | MAPT (0.45) | ALDH1A1GAAMAPTHTTKMT2A | |
| SCHEMBL2229983 | 0.72 | MAPT (0.45) | ALDH1A1GAAMAPTHTTKMT2A |
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-2002039815-A1 | COMPOSITIONS FOR, AND A METHOD OF, EXTERMINATING PESTS USING ALKYL ESTERS OF BENZENEPROPIONIC ACID | LOVESGROVE RESEARCH LIMITED (GB) | 2002-05-23 | — | — | WO | disclosed |