Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGAV | P06756 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | RXRG | P48443 | 1/20 | 0.31 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.30 |
| ▸ | SOD1 | P00441 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1845896 | 0.76 | NOTUM (0.43) | IDO1CES2NOTUMTDO2PTPN5 | |
| SCHEMBL440959 | 0.72 | CES2 (0.58) | IDO1CES2PTPN5ADRB1KIF11 | |
| SCHEMBL21233217 | 0.71 | KIF11 (0.42) | IDO1CES2KIF11MAPTRAPGEF4 | |
| SCHEMBL18191156 | 0.71 | RAPGEF4 (0.47) | IDO1CES2NOTUMKIF11MAPT | |
| SCHEMBL16703924 | 0.71 | RAPGEF4 (0.41) | IDO1CES2NOTUMRAPGEF4 | |
| SCHEMBL1845450 | 0.71 | NOTUM (0.40) | IDO1CES2NOTUM | |
| SCHEMBL22225691 | 0.67 | TACR1 (0.37) | IDO1CES2TDO2MAPTRAPGEF4 | |
| SCHEMBL131138 | 0.66 | NOTUM (0.50) | IDO1CES2NOTUMTDO2ADRB1 | |
| SCHEMBL29402148 | 0.66 | CES2 (0.46) | IDO1CES2TDO2ADRB1MAPT | |
| SCHEMBL5407180 | 0.66 | CES2 (0.46) | IDO1CES2TDO2ADRB1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5484932-A | Halogenation processes in advantageous solvents, and novel bistrifluoromethyl-polyfluoroalkoxybenzenes | BAYER AKTIENGESELLSCHAFT (DE) | 1996-01-16 | — | — | US | disclosed |