Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 3/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | GPR183 | P32249 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18104954 | 0.84 | CES2 (0.48) | CES2CES1KIF11PTPN1GSK3B | |
| SCHEMBL670709 | 0.82 | CES2 (0.47) | CES2CES1KIF11PTPN1GSK3B | |
| SCHEMBL28500241 | 0.81 | CES2 (0.45) | CES2CES1KIF11PTPN1GSK3B | |
| SCHEMBL4490688 | 0.81 | CES2 (0.45) | CES2CES1KIF11PTPN1GSK3B | |
| SCHEMBL5812965 | 0.81 | CES2 (0.45) | CES2PTPN1 | |
| Hydrochloric Acid SCHEMBL6653912 | 0.79 | CES2 (0.44) | CES2 | |
| SCHEMBL22721407 | 0.79 | MAOB (0.58) | CES2CES1PTPN1GSK3BKMT2A | |
| SCHEMBL6776577 | 0.78 | APP (0.49) | CES2CES1PTPN1ALDH1A1GPR183 | |
| SCHEMBL6563230 | 0.77 | ALDH1A1 (0.43) | CES2CES1PTPN1GSK3BEPHX2 | |
| SCHEMBL854121 | 0.77 | GABRP (0.48) | CES2CES1PTPN1GSK3BEPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6069247-A | REACTING AN ACETYLENECARBOXY AMIDE AND AN ARYL OR HETEROCYCLYL HALIDE OR A GROUP ENHANCING THE ELECTROPHILICITY OF THE ATOM TO WHICH IT IS ATTACHED FOR DISPLACEMENT; USING A PALLADIUM COMPOUND CATALYST, A BASE AND AN ACID | ELI LILLY AND COMPANY (US) | 2000-05-30 | — | — | US | disclosed |
| US-5917038-A | REACTING PROPIOLAMIDE WITH ACTIVATED AROMATIC RING IN THE PRESENCE OF A PALLADIUM CATALYST | ELI LILLY AND COMPANY (US) | 1999-06-29 | — | — | US | disclosed |