Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.48 |
| ▸ | KIF11 | P52732 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2247542 | 0.83 | ACHE (0.55) | ACHEKIF11CYP3A4CYP2D6CYP2C9 | |
| Methylamine SCHEMBL3364530 | 0.82 | TSHR (0.56) | ACHEKIF11CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL822098 | 0.81 | ACHE (0.52) | ACHEKIF11CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL148048 | 0.81 | NFE2L2 (0.55) | ACHEKIF11PTPN5HTTMEN1 | |
| SCHEMBL7694753 | 0.79 | ACHE (0.50) | ACHEKIF11CYP3A4CYP2D6CYP2C9 | |
| Bromide SCHEMBL27462091 | 0.79 | NFE2L2 (0.53) | ACHEKIF11PTPN5HTTMEN1 | |
| SCHEMBL18891585 | 0.79 | ACHE (0.50) | ACHEKIF11CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3910446 | 0.79 | ACHE (0.50) | ACHEKIF11CYP3A4CYP2D6CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL1869257 | 0.79 | NFE2L2 (0.53) | ACHEKIF11PTPN5HTTMEN1 | |
| SCHEMBL8242617 | 0.79 | ACHE (0.50) | ACHEKIF11CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1422216-B1 | FLUORINE COMPOUND AND FLUORINATING AGENT COMPRISING THE COMPOUND | MITSUBISHI GAS CHEMICAL CO (JP) | 2009-01-07 | — | — | EP | disclosed |