Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | LTA4H | P09960 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 3/20 | 0.46 |
| ▸ | DRD1 | P21728 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.46 |
| ▸ | DRD5 | P21918 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4849189 | 0.93 | CYP2D6 (0.53) | TDP1CYP2D6CYP2C19KDM4EMEN1 | |
| SCHEMBL4856576 | 0.92 | CYP2D6 (0.52) | TDP1CYP2D6CYP2C19KDM4EMEN1 | |
| SCHEMBL4845580 | 0.78 | SLC6A9 (0.49) | ESR1SMN1; SMN2KDM4EMEN1KMT2A | |
| SCHEMBL4852186 | 0.77 | SLC6A9 (0.46) | CYP2D6CYP2C19KDM4EMEN1KMT2A | |
| SCHEMBL6141526 | 0.77 | SSTR2 (0.39) | KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL4852464 | 0.77 | BACE1 (0.50) | TDP1ESR1ESR2SMN1; SMN2KDM4E | |
| SCHEMBL1892119 | 0.77 | MEN1 (0.63) | TDP1SMN1; SMN2CYP2D6CYP2C19KDM4E | |
| SCHEMBL4854461 | 0.76 | DRD2 (0.46) | KDM4EMEN1KMT2ADRD1DRD3 | |
| SCHEMBL4854976 | 0.76 | CYP1A2 (0.47) | SMN1; SMN2CYP2D6CYP2C19KDM4EMEN1 | |
| SCHEMBL4855017 | 0.76 | KDM4E (0.49) | SMN1; SMN2KDM4EMEN1KMT2AHRH1 |
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 |