Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 5/20 | 0.54 |
| ▸ | ACHE | P22303 | 5/20 | 0.54 |
| ▸ | ESR1 | P03372 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.48 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4846039 | 1.00 | BCHE (0.54) | BCHEACHEESR1KDM4EALDH1A1 | |
| SCHEMBL4852910 | 0.95 | BCHE (0.53) | BCHEACHEESR1KDM4EALDH1A1 | |
| SCHEMBL4856462 | 0.95 | BCHE (0.53) | BCHEACHEESR1KDM4EALDH1A1 | |
| SCHEMBL4850077 | 0.85 | KEAP1 (0.65) | BCHEACHEESR1KDM4EALDH1A1 | |
| SCHEMBL4846703 | 0.85 | KEAP1 (0.65) | BCHEACHEESR1KDM4EALDH1A1 | |
| SCHEMBL4853758 | 0.82 | BCHE (0.56) | BCHEACHEESR1KDM4EALDH1A1 | |
| SCHEMBL4853315 | 0.82 | BCHE (0.56) | BCHEACHEESR1KDM4EALDH1A1 | |
| SCHEMBL4852955 | 0.81 | BCHE (0.59) | BCHEACHEESR1KDM4EALDH1A1 | |
| SCHEMBL4855074 | 0.81 | BCHE (0.52) | BCHEACHEESR1KDM4EALDH1A1 | |
| SCHEMBL4847485 | 0.81 | BCHE (0.52) | BCHEACHEESR1KDM4EALDH1A1 |
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 |