Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTAFR | P25105 | 5/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL8599898 | 0.90 | — | — | |
| SCHEMBL8598142 | 0.88 | CYP19A1 (0.38) | PTAFRGRM5CHRNB2CHRNA4CYP11B1 | |
| SCHEMBL8600956 | 0.87 | PTAFR (0.40) | PTAFRGRM5CHRNB2CHRNA4CYP11B1 | |
| SCHEMBL8598924 | 0.85 | — | — | |
| SCHEMBL8603103 | 0.82 | PTAFR (0.43) | PTAFRMKNK1MKNK2AKR1C3AKR1C2 | |
| SCHEMBL8601450 | 0.81 | CYP11B1 (0.41) | PTAFRGRM5MKNK1MKNK2CHRNB2 | |
| SCHEMBL8599353 | 0.79 | PTAFR (0.37) | PTAFRMKNK1MKNK2CHRNB2CHRNA4 | |
| SCHEMBL8604574 | 0.79 | ALDH1A1 (0.33) | CYP3A4PTGS2 | |
| SCHEMBL7559816 | 0.79 | ALDH1A1 (0.33) | CYP3A4PTGS2 | |
| SCHEMBL8601722 | 0.77 | MGAM (0.33) | CYP2D6 |
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 |