Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28420380 | 0.71 | IDH1 (0.31) | IDO1TDO2 | |
| SCHEMBL1515776 | 0.69 | IDO1 (0.51) | CES2CES1IDO1TDO2 | |
| SCHEMBL28994492 | 0.67 | CES2 (0.38) | CES2CES1IDO1TDO2 | |
| SCHEMBL3126550 | 0.66 | ALDH1A1 (0.36) | CES2CES1IDO1TDO2 | |
| SCHEMBL28480587 | 0.65 | CES2 (0.41) | CES2CES1IDO1TDO2 | |
| SCHEMBL3371037 | 0.64 | CES2 (0.43) | CES2CES1IDO1TDO2 | |
| SCHEMBL96067 | 0.64 | CES2 (0.43) | CES2CES1IDO1TDO2 | |
| SCHEMBL1128052 | 0.64 | CES2 (0.43) | CES2CES1IDO1TDO2 | |
| SCHEMBL7980898 | 0.64 | GABBR2 (0.31) | — | |
| SCHEMBL5547858 | 0.63 | IDO1 (0.47) | CES2CES1IDO1TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011045807-A2 | A NOVEL PROCESS TO MANUFACTURE (2R,3S)-2-(2,4-DIFLUOROPHENYL)-3-(5-FLUOROPYRIMIDIN-4-YL)-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL | NEULAND LABORATORIES LTD. (IN) | 2011-04-21 | — | — | WO | disclosed |
| EP-0607193-A1 | TRIAZOLE ANTIFUNGAL AGENTS | Pfizer Limited (GB) | 1994-07-27 | — | — | EP | disclosed |