Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2857445 | 0.81 | GABRA1 (0.43) | CYP3A4ALDH1A1GABRA1GABRB2HIF1A | |
| SCHEMBL31852251 | 0.79 | GABRA1 (0.50) | ACHECYP3A4IDO1TDO2CES2 | |
| SCHEMBL84442 | 0.79 | GABRA1 (0.50) | ACHECYP3A4IDO1TDO2CES2 | |
| SCHEMBL15903486 | 0.79 | ACHE (0.43) | ACHECYP3A4IDO1TDO2CES2 | |
| SCHEMBL27883726 | 0.77 | ACHE (0.42) | ACHECYP3A4IDO1TDO2CES2 | |
| SCHEMBL24988976 | 0.75 | ACHE (0.40) | ACHECYP3A4IDO1TDO2CES2 | |
| SCHEMBL20809865 | 0.75 | ACHE (0.40) | ACHECYP3A4IDO1TDO2CES2 | |
| SCHEMBL20809861 | 0.75 | ACHE (0.40) | ACHECYP3A4IDO1TDO2CES2 | |
| SCHEMBL23139487 | 0.75 | PDE2A (0.48) | ACHECYP3A4IDO1TDO2CES2 | |
| SCHEMBL21670120 | 0.75 | ACHE (0.40) | ACHECYP3A4IDO1TDO2CES2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0771196-B1 | EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 1999-12-08 | — | — | EP | disclosed |
| EP-0771196-A4 | EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 1997-09-03 | — | — | EP | disclosed |
| EP-0771196-A1 | EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1997-05-07 | — | — | EP | disclosed |
| WO-1996007405-A1 | EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1996-03-14 | — | — | WO | disclosed |