Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL474607 | 0.83 | CYP3A4 (0.44) | CYP2C19ALDH1A1CYP3A4HIF1AFFAR1 | |
| SCHEMBL27508208 | 0.83 | FFAR1 (0.38) | CYP2C19ALDH1A1CYP3A4HIF1AFFAR1 | |
| SCHEMBL18580370 | 0.79 | FFAR1 (0.42) | CYP2C19ALDH1A1CYP3A4HIF1ATP53 | |
| SCHEMBL2899064 | 0.76 | CYP3A4 (0.40) | CYP2C19ALDH1A1CYP3A4HIF1AFFAR1 | |
| SCHEMBL18580161 | 0.75 | FFAR1 (0.40) | CYP2C19ALDH1A1CYP3A4HIF1AFFAR1 | |
| SCHEMBL3836402 | 0.75 | CYP3A4 (0.39) | CYP2C19ALDH1A1CYP3A4HIF1AFFAR1 | |
| SCHEMBL15059997 | 0.75 | FFAR1 (0.44) | CYP2C19ALDH1A1CYP3A4HIF1AFFAR1 | |
| SCHEMBL2733709 | 0.73 | NR1H2 (0.52) | CYP2C19ALDH1A1CYP3A4HIF1AFFAR1 | |
| SCHEMBL2733711 | 0.73 | NR1H2 (0.52) | CYP2C19ALDH1A1CYP3A4HIF1AFFAR1 | |
| SCHEMBL30668922 | 0.73 | NR1H2 (0.52) | CYP2C19ALDH1A1CYP3A4HIF1AFFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1771248-A | Process for preparing 1-N-phenyl-2-N-phenylpyrrolidine-1, 2-dicarboxamide derivatives and 1-phenylcarbamoylpyrrolidine-2-carboxylic acid derivatives as intermediates | MERCK PATENT GMBH (DE) | 2006-05-10 | — | — | CN | disclosed |