Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | GPR183 | P32249 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL28500241 | 0.80 | CES2 (0.45) | EPHX2CES2CES1EGLN1PTPN1 | |
| SCHEMBL4490688 | 0.80 | CES2 (0.45) | ALDH1A1EPHX2CES2CES1PTPN1 | |
| SCHEMBL666992 | 0.80 | APP (0.49) | ALDH1A1EGLN1GPR183 | |
| SCHEMBL18104954 | 0.80 | CES2 (0.48) | EPHX2CES2CES1EGLN1PTPN1 | |
| SCHEMBL854121 | 0.79 | GABRP (0.48) | ALDH1A1EPHX2CES2CES1EGLN1 | |
| SCHEMBL670709 | 0.78 | CES2 (0.47) | EPHX2CES2CES1EGLN1PTPN1 | |
| SCHEMBL8024378 | 0.77 | CES2 (0.45) | ALDH1A1EPHX2CES2CES1PTPN1 | |
| SCHEMBL28909521 | 0.76 | CES2 (0.41) | EPHX2CES2CES1PTPN1GPR183 | |
| SCHEMBL4554708 | 0.76 | NPSR1 (0.55) | ALDH1A1 | |
| SCHEMBL6560687 | 0.75 | PTGDR2 (0.43) | ALDH1A1TRPV1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944581-A4 | PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES | LILLY CO ELI (US) | 2004-09-08 | — | — | EP | disclosed |
| 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 |
| EP-0944581-A1 | PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES | ELI LILLY AND COMPANY (US) | 1999-09-29 | — | — | EP | 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 |
| WO-1998022429-A1 | PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES | ELI LILLY AND COMPANY (US) | 1998-05-28 | — | — | WO | disclosed |