Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 10/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 10/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | FABP2 | P12104 | 1/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6788691 | 0.80 | HTT (0.44) | CYP2C9CYP2C19CYP3A4AKR1C3AKR1C2 | |
| SCHEMBL2620519 | 0.80 | ESR1 (0.43) | CYP2C9CYP2C19APPCYP3A4PTGS2 | |
| SCHEMBL490579 | 0.80 | TDP1 (0.55) | CYP3A4AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL32660739 | 0.80 | TDP1 (0.55) | CYP3A4AKR1C3AKR1C2PTGS2PTGS1 | |
| Methylhydrazine SCHEMBL11546869 | 0.79 | TDP1 (0.51) | CYP3A4AKR1C3AKR1C2PTGS1MEN1 | |
| SCHEMBL5488854 | 0.79 | AKR1C3 (0.47) | CYP2C9CYP2C19APPCYP3A4AKR1C3 | |
| SCHEMBL28183228 | 0.78 | TDP1 (0.53) | CYP3A4AKR1C3AKR1C2PTGS2PTGS1 | |
| SCHEMBL30526268 | 0.77 | AKR1C3 (0.54) | CYP2C9CYP2C19APPCYP3A4AKR1C3 | |
| SCHEMBL11218780 | 0.77 | AKR1C3 (0.54) | CYP2C9CYP2C19APPCYP3A4AKR1C3 | |
| SCHEMBL1891624 | 0.76 | AKR1C3 (0.54) | CYP2C19CYP3A4AKR1C3AKR1C2PTGS2 |
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-2021116820-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF BENOXAPROFEN | AUROBINDO PHARMA LIMITED (IN) | 2021-06-17 | — | — | WO | disclosed |