Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL4856175 | 1.00 | PTPN11 (0.40) | PTPN11SLC6A9HRH1BACE1CYP1A2 | |
| SCHEMBL4848040 | 0.91 | HRH1 (0.39) | PTPN11SLC6A9HRH1BACE1CYP1A2 | |
| SCHEMBL4854469 | 0.91 | SLC6A9 (0.43) | PTPN11SLC6A9HRH1ALDH1A1 | |
| SCHEMBL4856457 | 0.91 | SLC6A9 (0.43) | PTPN11SLC6A9HRH1ALDH1A1 | |
| SCHEMBL4847435 | 0.89 | SLC6A9 (0.46) | PTPN11SLC6A9HRH1ARALDH1A1 | |
| SCHEMBL4853568 | 0.89 | SLC6A9 (0.46) | PTPN11SLC6A9HRH1ARALDH1A1 | |
| SCHEMBL4852558 | 0.87 | MAOB (0.42) | PTPN11SLC6A9 | |
| SCHEMBL4845305 | 0.87 | MAOB (0.42) | PTPN11SLC6A9 | |
| SCHEMBL4853354 | 0.87 | SLC6A9 (0.40) | PTPN11SLC6A9LMNAKEAP1NFE2L2 | |
| SCHEMBL4852918 | 0.87 | SLC6A9 (0.40) | PTPN11SLC6A9LMNAKEAP1NFE2L2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7423181-B2 | in particular against bacterial and parasitic infections, fungi, and helminths; improved metabolic and physiochemical properties, bioavailability, solubility; 3-[4-(2-Dimethylamino-ethoxy)-2'-trifluoromethyl-biphenyl-3-yl]-1-(2-dimethylaminomethyl-phenyl)-propenone | LICA PHARMACEUTICALS A/S (DK) | 2008-09-09 | — | — | US | disclosed |
| US-20050227990-A1 | Aminoalkoxy-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2005-10-13 | — | — | US | disclosed |