Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TLR4 | O00206 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | PLAT | P00750 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28019000 | 0.94 | CYP2C9 (0.43) | CYP2C9POLBHPGDLMNAMAPT | |
| SCHEMBL16704850 | 0.88 | TLR4 (0.44) | CYP2C9POLBHPGDLMNAMAPT | |
| SCHEMBL2234127 | 0.87 | CYP2C9 (0.39) | CYP2C9POLBHPGDLMNAMAPT | |
| SCHEMBL21220106 | 0.84 | CYP2C9 (0.38) | CYP2C9POLBHPGDLMNAMAPT | |
| SCHEMBL7522154 | 0.81 | CYP2C9 (0.41) | CYP2C9POLBHPGDLMNAMAPT | |
| SCHEMBL4482942 | 0.81 | CYP2C9 (0.41) | CYP2C9POLBHPGDLMNAMAPT | |
| SCHEMBL4544760 | 0.80 | TLR4 (0.41) | CYP2C9POLBHPGDLMNAMAPT | |
| SCHEMBL5951231 | 0.80 | TLR4 (0.41) | CYP2C9POLBHPGDLMNAMAPT | |
| Acetic Acid SCHEMBL8734367 | 0.80 | TLR4 (0.46) | CYP2C9POLBHPGDLMNAMAPT | |
| SCHEMBL23334078 | 0.78 | CYP1A2 (0.43) | CYP2C9POLBHPGDLMNAMAPT |
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-1609774-A1 | Fluorine atom containing benzyl ketone compound and process for producing the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-12-28 | — | — | EP | disclosed |