Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL8599902 | 0.89 | — | — | |
| SCHEMBL8603951 | 0.87 | SQOR (0.33) | SQORCCNE1CDK2PDK2 | |
| SCHEMBL8601985 | 0.84 | SQOR (0.38) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8601802 | 0.83 | GABRA1 (0.31) | — | |
| SCHEMBL8601487 | 0.83 | SQOR (0.32) | SQOR | |
| SCHEMBL8601987 | 0.81 | SQOR (0.40) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8600854 | 0.79 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8600713 | 0.77 | PIK3CD (0.34) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8601776 | 0.75 | PTAFR (0.31) | — | |
| SCHEMBL8598141 | 0.75 | — | — |
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 |