Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PI4KA | P42356 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.32 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8603734 | 0.89 | PIK3CD (0.31) | PIK3CDPI4KAPIK3CGPI4KBADRA2A | |
| SCHEMBL8601716 | 0.87 | PIK3CD (0.35) | PIK3CDPIK3CAPI4KAPIK3CGPI4KB | |
| SCHEMBL8602701 | 0.86 | SQOR (0.34) | PIK3CDPIK3CAPI4KAPIK3CGPI4KB | |
| SCHEMBL8602841 | 0.84 | GABRA1 (0.33) | — | |
| SCHEMBL8601977 | 0.84 | SQOR (0.39) | PIK3CDPIK3CAPI4KAPIK3CGPI4KB | |
| SCHEMBL8597749 | 0.82 | SQOR (0.32) | SQOR | |
| SCHEMBL8604387 | 0.81 | SQOR (0.40) | PIK3CDPIK3CAPI4KAPIK3CGPI4KB | |
| SCHEMBL8600854 | 0.80 | CYP1A2 (0.34) | PIK3CDPIK3CAPI4KAPIK3CGPI4KB | |
| SCHEMBL8601768 | 0.77 | CYP1A2 (0.32) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8600215 | 0.75 | ALOX5 (0.30) | — |
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-5779934-A | FLUORINATING AN ALCOHOL DERIVATIVE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-07-14 | — | — | US | disclosed |