Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.60 |
| ▸ | PDE4A | P27815 | 1/20 | 0.60 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.60 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.60 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.60 |
| ▸ | APP | P05067 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4851228 | 1.00 | ABCG2 (0.60) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4852954 | 0.95 | ABCG2 (0.59) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4854115 | 0.92 | MAPT (0.63) | ABCG2APPCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4848357 | 0.89 | MAOB (0.60) | ABCG2APPCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4851201 | 0.89 | ABCG2 (0.73) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4845554 | 0.89 | ABCG2 (0.73) | ABCG2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4853023 | 0.87 | MAPT (0.61) | ABCG2APPCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4851385 | 0.87 | APP (0.59) | ABCG2APPCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4846963 | 0.87 | TUBB1 (0.56) | ABCG2APPCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4846088 | 0.85 | MAOB (0.71) | APPCYP1A2CYP2D6BCHEACHE |
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 |